1MQO
Metallo-beta-lactamase BcII Cd substituted from Bacillus cereus at 1.35 angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.260, 61.380, 69.650 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.350 |
| Rwork | 0.222 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bvt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.099 | 0.309 |
| Number of reflections | 45576 | |
| Completeness [%] | 98.4 | 97.6 |
| Redundancy | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 281.15 | 13%PEG 8K, 10mM sodium citrate, 100 microM DTT, 100mM MES buffer 4.9, and 1mM CdSO4, VAPOR DIFFUSION, HANGING DROP, temperature 281.15K |
