2NXA
Structure of Zn-dependent Metallo-Beta-Lactamase from Bacillus Cereus R121H, C221D Double Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.42 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 52.471, 61.008, 68.674 |
| Unit cell angles | 90.00, 92.85, 90.00 |
Refinement procedure
| Resolution | 68.520 - 2.290 |
| R-factor | 0.167 |
| Rwork | 0.163 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bc2 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.073 | 0.240 |
| Number of reflections | 9218 | |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 94.5 | 70.7 |
| Redundancy | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 295 | 0.1 M sodium cacodylate, pH 5.4, 60 mM sodium tartrate, 18% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
