1M2X
Crystal Structure of the metallo-beta-lactamase BlaB of Chryseobacterium meningosepticum in complex with the inhibitor D-captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 |
| Unit cell lengths | 159.685, 159.685, 97.815 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| Rwork | 0.190 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bvt |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 1.260 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.120 * | 0.180 * |
| Number of reflections | 138708 | |
| <I/σ(I)> | 12.5 | 6.2 |
| Completeness [%] | 90.0 | 90 * |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 8 * | 28% PEG 4K, 0.2M Na Acetate, 0.1M Tris/Hcl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 281.15K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | sodium cacodylate | 10 (mM) | |
| 3 | 1 | drop | zinc acetate | 100000 (mM) | |
| 4 | 1 | drop | dithiothreitol | 100000 (mM) | pH6.5 |
| 5 | 1 | reservoir | PEG4000 | 28 (%) | |
| 6 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.4 |
