5FQQ
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 | 2015-09-18 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 61 |
Unit cell lengths | 49.338, 49.338, 199.114 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.730 - 2.120 |
R-factor | 0.1865 |
Rwork | 0.185 |
R-free | 0.22080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b88 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.987 |
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] | 42.730 | 2.190 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.050 | 0.890 |
Number of reflections | 15552 | |
<I/σ(I)> | 15.4 | 1.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 5 | CAPILLARY COUNTER DIFFUSION: 20%PEG 8K, 0.2M MG ACETATE, 0.1M NA-CACODYLATE PH 5.0 |