3IUP
Crystal structure of Putative NADPH:quinone oxidoreductase (YP_296108.1) from RALSTONIA EUTROPHA JMP134 at 1.70 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97848,0.97790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.484, 77.927, 85.447 |
| Unit cell angles | 90.00, 109.21, 90.00 |
Refinement procedure
| Resolution | 28.784 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20800 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.623 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.784 | 28.784 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.041 | 0.022 | 0.519 |
| Number of reflections | 81898 | 15476 | 14289 |
| <I/σ(I)> | 10.55 | 28.3 | 1.62 |
| Completeness [%] | 95.1 | 94.1 | 88.5 |
| Redundancy | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 277 | 0.2000M (NH4)2HPO4, 20.0000% PEG-3350, No Buffer pH 7.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
