6W5G
Class D beta-lactamase BAT-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.999, 72.665, 110.671 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.624 - 1.451 |
R-factor | 0.139 |
Rwork | 0.137 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ctm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.776 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.900 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.074 | 0.912 |
Rpim | 0.032 | 0.413 |
Number of reflections | 89677 | 4066 |
<I/σ(I)> | 13 | 1.8 |
Completeness [%] | 94.9 | |
Redundancy | 5 | |
CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.2 M ammonium citrate pH 7.0, 20% PEG 3350 |