6W5O
Class D beta-lactamase BAT-2 delta mutant
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 1 21 1 |
Unit cell lengths | 133.433, 66.178, 134.009 |
Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
Resolution | 60.561 - 2.550 |
R-factor | 0.2204 |
Rwork | 0.217 |
R-free | 0.29050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ctm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.686 |
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] | 133.950 | 2.600 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmeas | 0.155 | 0.774 |
Rpim | 0.084 | 0.424 |
Number of reflections | 75105 | 4334 |
<I/σ(I)> | 7.3 | 1.9 |
Completeness [%] | 98.9 | |
Redundancy | 3.3 | |
CC(1/2) | 0.993 | 0.684 |
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 |