4ZYD
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase in complex with modified DNA
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 | 2013-12-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.764, 65.879, 97.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.195 - 2.682 |
| R-factor | 0.2164 |
| Rwork | 0.213 |
| R-free | 0.27120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.324 |
| 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] | 41.760 | |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.081 | 0.770 |
| Number of reflections | 7993 | |
| <I/σ(I)> | 10.6 | 1.7 |
| Completeness [%] | 99.7 | 90.9 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 20% PEG 3350, Na/K tartrate 0.2 M |
