3MKF
SHV-1 beta-lactamase complex with GB0301
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 | 2007-07-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.08100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.215, 56.139, 82.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.030 - 1.330 |
R-factor | 0.17944 |
Rwork | 0.179 |
R-free | 0.18954 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vm1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.168 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.380 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.034 | 0.229 |
Number of reflections | 49901 | |
<I/σ(I)> | 3.89 | |
Completeness [%] | 23.0 | 73.5 |
Redundancy | 4.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20-30% PEG 6000, 0.1M HEPES, 0.56Mm Cymal-6, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |