Table 1.
Data collection and refinement statistics for SeMetSRRP53608-BR, SRRP53608-BR, and SRRP100-23-BR
| Protein | SeMetSRRP53608-BR | SRRP53608-BR | SRRP100-23-BR |
| Data collection statistics | |||
| Protein Data Bank ID | 5NXK | 5NY0 | |
| Beamline | i04 | i03 | i04 |
| Wavelength, Å | 0.9792 | 0.9762 | 0.9002 |
| Space group | P 32 2 1 | P 32 2 1 | H 3 2 |
| Cell parameters: a, b, c, Å | 148.40, 148.40, 110.73 | 146.70, 146.70, 110.42 | 162.36, 162.36, 146.78 |
| α, β, γ, ° | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution, Å | 74.20–2.73 (2.80–2.73) | 73.35–1.92 (1.95–1.92) | 63.40–2.00 (2.05–2.00) |
| I/σI | 29.7 (6.2) | 9.9 (2.2) | 16.8 (2.2) |
| Unique reflections | 37,723 (2,781) | 104,897 (5,168) | 50,080 (3,650) |
| Completeness, % | 99.9 (99.9) | 100.0 (99.6) | 100.0 (99.9) |
| Multiplicity | 39.0 (40.9) | 18.0 (15.5) | 9.2 (9.5) |
| Rmerge | 0.134 (1.134) | 0.278 (3.087) | 0.061 (0.945) |
| Rmeas | 0.136 (1.148) | 0.286 (3.191) | 0.069 (1.060) |
| Rpim | 0.022 (0.178) | 0.067 (0.797) | 0.031 (0.472) |
| CC1/2 | 1.000 (0.984) | 0.997 (0.668) | 0.998 (0.714) |
| Refinement Statistics | |||
| Molecules per asymmetric unit | 3 | 3 | 1 |
| Total atoms | 7,896 | 2,786 | |
| Water molecules | 999 | 200 | |
| Rfactor | 0.1570(0.2458) | 0.2241(0.2116) | |
| Rfree | 0.1825(0.2680) | 0.2445(0.2517) | |
| Ramachandran analysis | |||
| Most favored | 95.90 | 94.10 | |
| Allowed | 2.99 | 4.70 | |
| Outliers | 0.11 | 1.20 | |
| Rmsd | |||
| Bonds, Å | 0.008 | 0.013 | |
| Angles, ° | 1.240 | 1.400 | |
| Mean atomic B-factor, Å2 | 30.60 | 48.40 | |
| Molprobity score | 1.36 (98th percentile) | 1.60 (94rd percentile) | |
| Clashscore | 2.98 (99th percentile) | 3.98 (99th percentile) |