5EVB
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 104.957, 104.957, 98.828 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.968 - 1.841 |
R-factor | 0.1501 |
Rwork | 0.148 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sml |
RMSD bond length | 0.007 |
RMSD bond angle | 1.044 |
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] | 28.970 | 1.880 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.213 | 0.650 |
Number of reflections | 28142 | |
<I/σ(I)> | 16.9 | 6 |
Completeness [%] | 99.4 | 90.3 |
Redundancy | 37.9 | 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. |