1Q2P
SHV-1 class A beta-lactamase complexed with penem WAY185229
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2002-12-23 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.532, 55.105, 84.154 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.720 - 2.000 |
| R-factor | 0.163 |
| Rwork | 0.166 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 15709 | |
| <I/σ(I)> | 18.3 | 5 |
| Completeness [%] | 97.4 | 84.4 |
| Redundancy | 6.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | PEG 6000, HEPES, CYMAL-6, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
