Table 1

Data collection and refinement statistics for the β2-m Trp95Leu variant

β2-m Trp95Leu


Beam line

ESRF ID14-1


Space group Unit cell edges (Å, °)

a = 77.41, b = 28.98, c = 54.45, β = 121.7


Resolution (Å)

26.6-1.57


R merge* (%)

5.6 (25.1)


I/σI

17.0 (5.4)


Completeness (%)

99.8 (99.4)


Redundancy

4.4 (4.3)


Unique reflections

14630 (2118)


REFINEMENT


R work** (%)

15.2


R free (%)

20.5


Number of atoms

998


Protein

908


Water

72


Ramachandran plot


Most favoured region

97.8%


Allowed region

2.2%


Values in parenthesis are for the highest resolution shell.

* R merge = Σ | I - < I > |/Σ | I | where I is the observed intensity and < I > is the average intensity.

** R work = Σhkl||Fo|-|Fc||/Σhkl|Fo|for all data except 5% which were used for R free calculation.

Raimondi et al. BMC Evolutionary Biology 2011 11:159   doi:10.1186/1471-2148-11-159

Open Data