5H6S
Crystal structure of Hydrazidase S179A mutant complexed with a substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-06-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.042, 126.478, 123.185 |
| Unit cell angles | 90.00, 105.66, 90.00 |
Refinement procedure
| Resolution | 40.600 - 1.800 |
| R-factor | 0.17309 |
| Rwork | 0.172 |
| R-free | 0.19158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5h6t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.360 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.386 |
| Number of reflections | 196526 | |
| <I/σ(I)> | 29.9 | 5.2 |
| Completeness [%] | 97.9 | 96.3 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M imidazole, 0.17 M LiSO4, 2M (NH4)2SO4 |
