7PPS
apo FabB from Pseudomonas aeruginosa with single point mutation C161A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976246 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.228, 102.304, 188.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.190 - 1.300 |
| R-factor | 0.11522 |
| Rwork | 0.114 |
| R-free | 0.13664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xox |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.190 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.058 | 0.494 |
| Number of reflections | 174480 | 8364 |
| <I/σ(I)> | 22.3 | 4.6 |
| Completeness [%] | 99.7 | 97.3 |
| Redundancy | 13.4 | 12.3 |
| CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% PEG3350, 20% Ethylene glycol, 0.2M NaI, 0.1M Bis-Tris propane pH7.5 |
