3WS5
N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-2B)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-21 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000, 0.769 |
| Spacegroup name | P 31 |
| Unit cell lengths | 114.262, 114.262, 66.998 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.590 - 2.800 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wrz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.585 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.095 | 0.398 |
| Number of reflections | 22606 | |
| <I/σ(I)> | 19.5 | 7.96 |
| Completeness [%] | 90.6 | 92.4 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | Crystal was grown in a solution containing 100mM MES-NaOH buffer (pH 6.5), 200mM Ca acetate hydrate and 18% PEG 8000. Obtained crystal w as soaked into a solution containing 100 mM MES-NaOH buffer (pH 6.5), 100mM Ca acetate, 100mM Sr acetate and 18% PEG8000., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
