Table 1

Data collection and refinement statistics.

Data collection


Beamline

DESY X12


Temperature (K)

100


Dataset type

Peak

Inflection point

High-energy remote


Wavelength (Å)

1.10371

1.10420

1.10009


Data range (°)

180


Oscillation range (°)

0.5


Space group

P31


Unit cell parameters (Å)

a = b = 53.0, c = 143.5


Resolution (Å)

20 to 2.8 (2.95 to 2.8)


Unique reflections

19,800 (3,352)

19,790 (3,392)

19,765 (3,365)


Redundancy

2.84 (2.84)

2.83 (2.82)

2.84 (2.84)


Completeness (%)

90.0 (94.5)

89.9 (96.9)

89.7 (95.9)


Mean I/σI

16.5 (3.45)

15.52 (2.92)

18.19 (3.84)


Rmergea

0.05 (0.30)

0.06 (0.40)

0.05 (0.28)


Mosaicity (°)

0.271


Estimated Wilson B 2)

54.1


Refinement


Rworkb

0.2271


Rfreec

0.2508


Molecules in the asymmetric unit

(DC-LAMP/GlcNAc/Ir)

2/2/4


No. of atoms


Protein

2,438


Hetero atoms

32


Water

10


Total

2,480


Atomic displacement factor B 2)

61.3


Real space correlation coefficientd

0.882


r.m.s.d. from ideal


Bond lengths (Å)

0.0056


Bond angles (°)

1.023


Ramachandran plot


Favored (%)

90.9


Allowed (%)

6.8


Disallowed (%)

2.3


Values in parentheses account for the highest resolution shell.

a <a onClick="popup('http://www.biomedcentral.com/1741-7007/10/62/mathml/M1','MathML',630,470);return false;" target="_blank" href="http://www.biomedcentral.com/1741-7007/10/62/mathml/M1">View MathML</a>

b <a onClick="popup('http://www.biomedcentral.com/1741-7007/10/62/mathml/M2','MathML',630,470);return false;" target="_blank" href="http://www.biomedcentral.com/1741-7007/10/62/mathml/M2">View MathML</a>

c Rfree is calculated as Rwork but using Fobs derived from 5% randomly selected reflections exclude from refinement.

d <a onClick="popup('http://www.biomedcentral.com/1741-7007/10/62/mathml/M3','MathML',630,470);return false;" target="_blank" href="http://www.biomedcentral.com/1741-7007/10/62/mathml/M3">View MathML</a>

Wilke et al. BMC Biology 2012 10:62   doi:10.1186/1741-7007-10-62

Open Data