6W5E
Class D beta-lactamase BSU-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-30 |
Detector | DECTRIS PILATUS3 R 1M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 47.625, 47.625, 208.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.308 - 1.300 |
R-factor | 0.1532 |
Rwork | 0.152 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ctm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.829 |
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] | 46.400 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmeas | 0.086 | |
Rpim | 0.027 | 0.336 |
Number of reflections | 62108 | 3191 |
<I/σ(I)> | 13 | 2 |
Completeness [%] | 94.7 | 99.3 |
Redundancy | 9.5 | 9.4 |
CC(1/2) | 0.999 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 0.2 M sodium malonate pH 4.0, 20% PEG 3350 |