5FQI
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 |
| Unit cell lengths | 46.962, 46.962, 189.129 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.670 - 1.400 |
| R-factor | 0.1428 |
| Rwork | 0.142 |
| R-free | 0.15810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b88 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.924 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.670 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.490 |
| Number of reflections | 46133 | |
| <I/σ(I)> | 10.4 | 1.7 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | COUNTERDIFFUSION: ACNA 0.1M PH 5.0,PEG 400 20%,PEG 4000 15%,PEG 8000 10% |
