3MKE
SHV-1 beta-lactamase complex with LP06
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.554, 56.484, 82.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.920 - 1.750 |
| R-factor | 0.15468 |
| Rwork | 0.153 |
| R-free | 0.18107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vm1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.564 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.111 | 0.474 |
| Number of reflections | 23654 | |
| <I/σ(I)> | 2.78 | |
| Completeness [%] | 24.1 | 99.4 |
| Redundancy | 4.2 | 4.1 |
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 |
