3U4Y
The crystal structure of a functionally unknown protein (Dtox_1751) from Desulfotomaculum acetoxidans DSM 771.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915, 0.97929 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 139.636, 66.661, 80.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.214 - 2.994 |
| R-factor | 0.1804 |
| Rwork | 0.176 |
| R-free | 0.26800 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.309 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 3.050 |
| High resolution limit [Å] | 2.994 | 3.000 |
| Rmerge | 0.161 | 0.684 |
| Number of reflections | 15627 | |
| <I/σ(I)> | 12.4 | 2.1 |
| Completeness [%] | 99.7 | 97.7 |
| Redundancy | 6.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1M Succinic acid 15% (w/v) PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
