Table 2 X-ray crystallography data collection and refinement statistics

Data collection

 Beamline

BL-17U1, SSRF

 Wavelength (Å)

0.9792

 Resolution range (Å)*

50.00–1.50 (1.53–1.50)

 Space group

P212121

Cell dimensions

 a, b, c (Å)

50.30, 82.77, 110.44

 α, β, γ (°)

90.00, 90.00, 90.00

 Total reflections

2,150,046 (74,696)

 Unique reflections

2,142,023 (74,568)

 Multiplicity

12.5

 Completeness (%)

99.9 (98.2)

 Mean I/sigma(I)

44.2 (3.5)

 R-meas

0.100 (0.412)

 R-pim

0.028 (0.146)

 CC1/2

0.995 (0.932)

Refinement

 Reflections used in refinement

74,599

 Reflections used for R-free

3761

 Rwork

0.175

 Rfree

0.195

 Number of atoms

3807

 Protein

3164

 Solvent

643

 RMS (bonds)

0.006

 RMS (angles)

1.106

 Ramachandran favored (%)

98.68

 Ramachandran allowed (%)

1.06

 Ramachandran outliers (%)

0.26