4ZYE
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | H 3 |
| Unit cell lengths | 94.728, 94.728, 76.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.364 - 1.850 |
| R-factor | 0.1612 |
| Rwork | 0.160 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.976 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.364 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.478 |
| Number of reflections | 21897 | |
| <I/σ(I)> | 11.4 | 2.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | potassium nitrate 0.35 M, Ammonium sulfate 1.6 M |
