3CNG
Crystal structure of NUDIX hydrolase from Nitrosomonas europaea
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 | 2007-07-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.781, 49.506, 110.190 |
| Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
| Resolution | 37.200 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.23300 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.668 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.200 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.506 |
| Number of reflections | 51323 | |
| <I/σ(I)> | 11.5 | 2.05 |
| Completeness [%] | 83.0 | 47.8 |
| Redundancy | 6.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 0.1 M Bis-Tris, 0.2 M Magnesium chloride, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
