2DE3
Crystal structure of DSZB C27S mutant in complex with 2'-hydroxybiphenyl-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 | 154.670, 46.190, 113.960 |
| Unit cell angles | 90.00, 115.81, 90.00 |
Refinement procedure
| Resolution | 54.230 - 1.600 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 354446 | |
| Completeness [%] | 100.0 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PEG 6000, PEG 8000, HEPES, MAGNESIUM ACETATE, PH 7, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K, pH 7.00 |
