Table 1

Statistics of data collection, refinement and quality of the structure


CGL
CGL-αMM

Data collection


Total number of observations
238,197
483,177
Total number of unique observations
57,503
61,808
Rmerge (%)
8.8 (34.4)
7.3 (35.4)
Resolution limit (Å)
42.64-2.3
51.99-2.31
Completeness (%)
97.87 (98.2)
99.1 (94.5)
Multiplicity
3.9
4.5
(I)/σ
7.2 (2.2)
8.9 (2.0)
Wavelength (Å)
1.431
1.431
Space group
C2221
C2221
Cell parameters (Å)
a = 100.90
a = 100.91

b = 115.35
b = 115.75

c = 241.08
c = 241.62



Refinement


Resolution range (Å)
10-2.3
9.99-2.31
Rfactor (%)
18.38
16.87
Rfree (%)
23.28
22.31
Number amino acid residues in biological assembly
948
948
Number of water molecules
432
448
RMS deviations from ideal values


Bond lengths (Å)
0.021
0.026
Bond angles (degrees)
2.019
2.223
Temperature factors


Average B value for whole protein chain (Å 2)
20.6
20.1
Ramachandran plot


Residues in most favored regions
84.0
86.2
Residues in additional allowed regions
15.3
13.2
Residues in generously allowed regions
0.7
0.6

*Values in parenthesis represent the high resolution shell.

Delatorre et al. BMC Structural Biology 2007 7:52   doi:10.1186/1472-6807-7-52