4FM4
Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 |
| Unit cell lengths | 111.401, 111.401, 475.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.156 - 2.384 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ahj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.375 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.156 | 2.411 |
| High resolution limit [Å] | 2.384 | 2.384 |
| Rmerge | 0.133 | 0.602 |
| Number of reflections | 262123 | |
| <I/σ(I)> | 11 | 1 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 1.08 M K2HPO4, 0.49 M NaH2PO4, 25 or 30%(v/v) glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
