5LLQ
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase C119F variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.859, 85.850, 98.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.240 - 2.700 |
| R-factor | 0.1761 |
| Rwork | 0.172 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zye |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.137 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.240 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.102 | 0.349 |
| Number of reflections | 12411 | |
| <I/σ(I)> | 10.26 | 3.35 |
| Completeness [%] | 96.5 | 97.7 |
| Redundancy | 4.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0,2 M ammonium phosphate monobasic 20% PEG 3350 |
