3DUP
Crystal structure of mutt/nudix family hydrolase from rhodospirillum rubrum atcc 11170
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 61 |
| Unit cell lengths | 115.320, 115.320, 115.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.17059 |
| Rwork | 0.169 |
| R-free | 0.20762 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.090 | 0.690 |
| Number of reflections | 82071 | |
| <I/σ(I)> | 6.7 | 1 |
| Completeness [%] | 98.9 | 89.3 |
| Redundancy | 5.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 150MM POTASSIUM DIHYDROGEN PHOSPHATE, PH 8, 20% PEG 8000,10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, pH 8.00 |
