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 |
