6W5F
Class D beta-lactamase BSU-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 | 2015-05-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.264, 67.271, 254.599 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.600 - 1.500 |
R-factor | 0.1546 |
Rwork | 0.153 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ctm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.778 |
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] | 127.300 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmeas | 0.069 | |
Rpim | 0.026 | 0.477 |
Number of reflections | 181693 | 8825 |
<I/σ(I)> | 14.9 | 1.7 |
Completeness [%] | 98.2 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 4% Tacsimate pH 5.0, 12% PEG 3350 |