5EUA
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
Replaces: 4MXHExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.530, 80.910, 86.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.580 - 1.850 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eoe |
RMSD bond length | 0.015 |
RMSD bond angle | 1.697 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.580 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.080 | 0.427 |
Number of reflections | 42901 | |
<I/σ(I)> | 12.6 | 3.8 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.2 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 20% PEG4600, 20% MPD, 0.1M sodium citrate pH 5.6 |