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% |