2ZPF
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min at 293K
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 | 114.045, 59.995, 81.710 |
Unit cell angles | 90.00, 125.06, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.482 |
R-factor | 0.16879 |
Rwork | 0.168 |
R-free | 0.18952 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zpb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.189 |
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] | 1.482 |
Number of reflections | 72781 |
Completeness [%] | 97.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 8000, 0.1M Tris-HCl pH 7.5, 300mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |