5EVD
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 105.130, 105.130, 98.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.348 - 1.800 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sml |
RMSD bond length | 0.008 |
RMSD bond angle | 1.048 |
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] | 30.350 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.180 | 0.858 |
Number of reflections | 30208 | |
<I/σ(I)> | 21.69 | 4.29 |
Completeness [%] | 100.0 | 100 |
Redundancy | 33.8 | 34.9 |
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. |