2NYP
Structure of beta-lactamase II from Bacillus cereus. R121H, C221D doble mutant with two zinc ions.
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 | 2006-02-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.42 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 52.464, 61.023, 68.710 |
| Unit cell angles | 90.00, 92.92, 90.00 |
Refinement procedure
| Resolution | 68.680 - 1.840 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bc2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.566 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 18461 | |
| <I/σ(I)> | 12.4 | 2.9 |
| Completeness [%] | 97.6 | 86.3 |
| Redundancy | 2.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 295 | 0.1 M sodium cacodylate,60 mM sodium tartrate, 18% PEG 3350, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
