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 |