2H0T
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to clavulanic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-30 |
Detector | NOIR-1 |
Wavelength(s) | 1.46 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.680, 55.200, 83.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.530 - 1.600 |
R-factor | 0.16 |
Rwork | 0.160 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rcj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.910 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 31000 | |
<I/σ(I)> | 9.8 | 2.6 |
Completeness [%] | 95.1 | 90.9 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 6000, 0.1M HEPES pH 7.0, 0.56mM Cymal-6. Crystal is soaked for 10 minutes in 50mM clavulanic acid prior to freezing and data collection., VAPOR DIFFUSION, SITTING DROP, temperature 298K |