5FQA
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-25 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 53.048, 61.500, 69.469 |
Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
Resolution | 14.176 - 1.100 |
R-factor | 0.1197 |
Rwork | 0.119 |
R-free | 0.14000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c09 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.568 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.180 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.060 | 0.100 |
Number of reflections | 87891 | |
<I/σ(I)> | 16.9 | 4.88 |
Completeness [%] | 97.4 | 95 |
Redundancy | 6.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP |