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 |