1RCJ
Crystal structure of E166A mutant of SHV-1 beta-lactamase with the trans-enamine intermediate of tazobactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.848, 55.193, 83.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.630 |
| Rwork | 0.147 |
| R-free | 0.17200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1G56 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.580 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.032 * | 0.080 * |
| Number of reflections | 28328 | |
| <I/σ(I)> | 40.5 | |
| Completeness [%] | 95.6 | 87.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Crystal was soaked for 20 minutes in mother liquor containing 5mM Tazobactam prior to flash freezing. 30% PEG 6000, 0.1M HEPES, 0.56mM Cymal-6, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Cymal-6 | 5.6 (mM) | |
| 2 | 1 | drop | PEG6000 | 30 (%(w/v)) | |
| 3 | 1 | drop | HEPES | 0.1 (M) | pH7.0 |
| 4 | 1 | reservoir | PEG6000 | 30 (%(w/v)) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.0 |
