2DE4
Crystal structure of DSZB C27S mutant in complex with biphenyl-2-sulfinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.370, 45.860, 112.900 |
| Unit cell angles | 90.00, 115.93, 90.00 |
Refinement procedure
| Resolution | 31.010 - 1.800 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.010 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 236875 | |
| Completeness [%] | 99.4 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PEG 6000, PEG 8000, HEPES, MAGNESIUM ACETATE, PH 7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K, pH 7.00 |
