3QSJ
Crystal structure of NUDIX hydrolase from Alicyclobacillus acidocaldarius
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 | 2010-12-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.844, 82.152, 36.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.420 - 1.700 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.20470 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.180 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.116 | 0.729 |
| Number of reflections | 25239 | |
| <I/σ(I)> | 25.8 | 2.2 |
| Completeness [%] | 98.2 | 95.4 |
| Redundancy | 6.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | 0.2 M CaCl2, 0.1 M Tris/HCl, 23% PEG4K, 5% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
