5EVK
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97623 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 104.980, 104.980, 98.465 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.872 - 1.627 |
R-factor | 0.1586 |
Rwork | 0.157 |
R-free | 0.18180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sml |
RMSD bond length | 0.016 |
RMSD bond angle | 1.573 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.872 | 1.660 |
High resolution limit [Å] | 1.627 | 1.627 |
Rmerge | 0.084 | 0.650 |
Number of reflections | 40522 | |
<I/σ(I)> | 41.04 | 6 |
Completeness [%] | 99.7 | 94.1 |
Redundancy | 65.3 | 27.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100 mM Hepes pH 7.75, 2.0 M ammonium sulphate, 1.5% PEG400. 1 ul protein (15 mg/ml) mixed with 1 ul reservoir. |