3I14
Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 partially oxidized
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.078, 61.699, 69.630 |
| Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
| Resolution | 35.440 - 1.550 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.950 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.226 | 40.230 | 1.630 |
| High resolution limit [Å] | 1.553 | 4.900 | 1.550 |
| Rmerge | 0.028 | 0.014 | 0.156 |
| Total number of observations | 6591 | 21711 | |
| Number of reflections | 31080 | ||
| <I/σ(I)> | 15.408 | 39.9 | 4.5 |
| Completeness [%] | 95.4 | 99.8 | 87.2 |
| Redundancy | 6 | 6.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350, 1 mM CoSO4, 1 mM DTT, pH 5.8, Vapor diffusion, hanging drop, temperature 293K |
