7DQT
Crystal structure of O6-methylguanine methyltransferase Y91F variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-19 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.102, 52.839, 61.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.938 - 1.130 |
| Rwork | 0.171 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.176 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.170 | 40.170 | 1.150 |
| High resolution limit [Å] | 1.130 | 6.190 | 1.130 |
| Rmerge | 0.066 | 0.077 | 0.178 |
| Rmeas | 0.069 | 0.082 | 0.186 |
| Rpim | 0.019 | 0.025 | 0.053 |
| Total number of observations | 755764 | 4835 | 33246 |
| Number of reflections | 59665 | 435 | 2845 |
| <I/σ(I)> | 26.1 | 38.3 | 11.9 |
| Completeness [%] | 99.9 | 99.4 | 97.7 |
| Redundancy | 12.7 | 11.1 | 11.7 |
| CC(1/2) | 0.998 | 0.980 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Potassium chloride, 0.05 M HEPES pH 7.5, 35% v/v Pentaerythritol propoxylate (5/4 PO/OH) |
