2ZPB
nitrosylated Fe-type nitrile hydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.657, 60.548, 81.920 |
| Unit cell angles | 90.00, 124.97, 90.00 |
Refinement procedure
| Resolution | 7.960 - 1.300 |
| R-factor | 0.16827 |
| Rwork | 0.167 |
| R-free | 0.18566 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 67.116 |
| High resolution limit [Å] | 1.300 |
| Number of reflections | 113080 |
| Completeness [%] | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 8000, 0.1M Tris-HCl PH7.5, 300mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
