Table 1 Data collection and refinement statistics.
From: Cooperative allostery and structural dynamics of streptavidin at cryogenic- and ambient-temperature
Apo-SFX Streptavidin | Apo-Cryo Streptavidina | |
|---|---|---|
Data collection | PDB ID (7EK8) | PDB ID (7EK9) |
Instrument | LCLS (MFX) | SSRL (BL12-2) |
Space group | P1211 | P1211 |
Cell dimensions | ||
a, b, c (Å) | 47.40, 87.70, 58.90 | 46.36, 85.76, 58.13 |
α, β, γ (°) | 90.00, 98.90, 90.00 | 90.00, 98.71, 90.00 |
Resolution (Å)b | 48.49–1.70 (1.76–1.70)c | 17.89–1.1 (1.14–1.10) |
Rsplit | 11.02 (77.82) | — |
Rpim | — | 0.045 (0.30) |
Rmeas | — | 0.058 (0.35) |
CC1/2 | 0.98 (0.61) | 0.58 (0.77) |
I/σ(I) | 8.91 (1.10) | 14.45 (2.72) |
CC* | 0.99 (0.87) | 0.98 (0.93) |
Completeness (%) | 100.0 (100.0) | 80.70 (47.8)b |
Redundancy | 897 (63) | 2.1 (1.7) |
Refinement | ||
Resolution (Å) | 48.49–1.70 (1.74–1.70) | 17.89–1.10 (1.11–1.10) |
No. of reflections | 52,270 (3572) | 147,223 (2405) |
Rwork/Rfree | 0.19/0.22 (0.37/0.36) | 0.16/0.19 (0.22/0.24) |
No. of atoms | ||
Protein | 3769 | 3855 |
Ligand/ion | 397 | 624 |
B-factors | ||
Protein | 18.14 | 18.65 |
Ligand/ion/water | 34.42 | 33.82 |
Coordinate errors | 0.21 | 0.09 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.011 | 0.012 |
Bond angles (°) | 1.058 | 1.345 |
Ramachandran plot | ||
Favored (%) | 98.31 | 97.47 |
Allowed (%) | 1.48 | 2.11 |
Disallowed (%) | 0.21 | 0.42 |
