2ZPE
nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile
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] | 95 |
| Detector technology | CCD |
| Collection date | 2006-05-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.976, 60.002, 81.707 |
| Unit cell angles | 90.00, 125.08, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.480 |
| R-factor | 0.16669 |
| Rwork | 0.165 |
| R-free | 0.19332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zpb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.186 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 66.815 |
| High resolution limit [Å] | 1.480 |
| Number of reflections | 73877 |
| Completeness [%] | 98.3 |
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 |
