3OPL
ESBL R164H mutant SHV-1 beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.674, 55.647, 84.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.140 - 1.800 |
R-factor | 0.17535 |
Rwork | 0.172 |
R-free | 0.22843 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1vm1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.278 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.093 | 0.397 |
Number of reflections | 19477 | |
<I/σ(I)> | 13.1 | 2 |
Completeness [%] | 88.9 | 70.3 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 21-30% PEG 6000, 0.5mM cymal-6, 100mM HEPES buffer, pH 6.6-7.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |