1DXK
Metallo-beta-lactamase from Bacillus cereus 569/H/9 C168S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 52.790, 61.250, 69.280 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| R-factor | 0.2054 |
| Rwork | 0.205 |
| R-free | 0.26120 |
| Structure solution method | MIR |
| Starting model (for MR) | 1bvt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.638 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.043 * | 0.069 * |
| Number of reflections | 17009 | 1648 * |
| Completeness [%] | 89.9 | 88.8 |
| Redundancy | 3.82 | 3.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 * | 8 * | pH 5.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | cacodylate sodium | 10 (mM) | |
| 3 | 1 | reservoir | PEG8000 | 13 (%) | |
| 4 | 1 | reservoir | sodium citrate | 10 (mM) | |
| 5 | 1 | reservoir | dithiothreitol | 0.100 (mM) | |
| 6 | 1 | reservoir | MES | 100 (mM) | |
| 7 | 1 | reservoir | 1 (mM) |
