2NZE
Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121.
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 | P 31 2 1 |
| Unit cell lengths | 66.665, 66.665, 175.947 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.620 - 1.800 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bc2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.455 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 40696 | |
| <I/σ(I)> | 11.6 | 3.8 |
| Completeness [%] | 94.8 | 91.9 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 295 | 0.1 M sodium acetate, 2.8 M ammonium sulfate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
