3IVZ
Crystal structure of hyperthermophilic nitrilase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0723 |
| Spacegroup name | P 41 |
| Unit cell lengths | 59.174, 59.174, 127.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.910 - 1.570 |
| R-factor | 0.13235 |
| Rwork | 0.131 |
| R-free | 0.17591 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j31.pdb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.068 | 0.193 |
| Number of reflections | 51424 | |
| <I/σ(I)> | 11.8 | 1.7 |
| Completeness [%] | 83.6 | 16 |
| Redundancy | 5.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 35% PEG 550MME, 0.2M MgCl2, 0.2M TrisHCl pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
