3WRT
Wild type beta-lactamase DERIVED FROM CHROMOHALOBACTER SP.560
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-17 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | P 31 |
| Unit cell lengths | 116.171, 116.171, 68.032 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.450 - 2.900 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zkj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.551 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.007 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.096 | 0.352 |
| Number of reflections | 21572 | |
| <I/σ(I)> | 5.5 | 5.16 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 0.2M NACL, 0.2M MAGNESIUM FORMATE, 30% PEG3350, 50MM HEPES BUFFER, PH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
