4ZYH
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase C119L variant
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 | 2014-12-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.89 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 140.561, 140.561, 140.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.576 - 2.600 |
| R-factor | 0.1782 |
| Rwork | 0.175 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.213 |
| 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] | 44.450 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.418 |
| Number of reflections | 7600 | |
| <I/σ(I)> | 25.6 | 5.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.3 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | sodium formate 4 M |
