Table 1. Statistics for crystallographic structure determination.
Data collection | |
Data-collection site | ESRF ID14.1 |
Detector | MAR CCD |
Wavelength (Å) | 0.93 |
Resolution range (Å) | 30–1.9 (1.97–1.90) |
Redundancy | 3.6 (2.9) |
Completeness (%) | 99.3 (95.6) |
Average I/σ(I) | 31.6 (2.9) |
Rmerge† | 0.037 (0.275) |
Refinement statistics | |
No. of reflections used | 75428 |
Total No. of atoms | 6201 |
No. of water molecules | 471 |
Resolution range (Å) | 29.4-1.9 |
R factor‡ (Rwork/Rfree) | 20.7/23.9 |
R.m.s. bond-length deviation (Å) | 0.013 |
R.m.s. bond-angle deviation (°) | 1.32 |
Mean B factors (Å2) | |
Main chain | 23.2 |
Side chain and water | 27.3 |
GMP | 22.8 |
All atoms | 25.6 |
R merge = .
R factor = .