1SHV
STRUCTURE OF SHV-1 BETA-LACTAMASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-10 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.600, 55.600, 87.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.980 |
| R-factor | 0.182 * |
| Rwork | 0.182 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xpb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.490 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 2.090 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.065 * | 0.194 * |
| Total number of observations | 49725 * | |
| Number of reflections | 15082 * | 1156 * |
| <I/σ(I)> | 15.5 | 3.2 |
| Completeness [%] | 85.0 * | 40 * |
| Redundancy | 3.3 | 1.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 | VAPOR DIFFUSION, WITH 2MG/ML PROTEIN IN 15% PEG6000, 50MM HEPES PH7.0 0.65MM CYMAL-6, OVER 30% PEG RESERVOIR AT ROOM TEMPERATURE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2 (mg/ml) | |
| 2 | 1 | drop | Cymal-6 | 0.56 (mM) | |
| 3 | 1 | drop | PEG6000 | 15 (%) | |
| 4 | 1 | drop | HEPES | 50 (mM) | |
| 5 | 1 | reservoir | PEG | 30 (%) | |
| 6 | 1 | reservoir | HEPES | 100 (mM) |
