7DQR
Crystal structure of Sulfurisphaera tokodaii methylated O6-methylguanine methyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-16 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.206, 52.472, 61.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.992 - 1.740 |
| Rwork | 0.189 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.866 |
| 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] | 48.210 | 48.210 | 1.770 |
| High resolution limit [Å] | 1.740 | 8.870 | 1.740 |
| Rmerge | 0.031 | 0.028 | 0.142 |
| Rmeas | 0.034 | 0.031 | 0.154 |
| Rpim | 0.013 | 0.013 | 0.058 |
| Total number of observations | 107753 | 714 | 6393 |
| Number of reflections | 16659 | 157 | 926 |
| <I/σ(I)> | 34.8 | 53.6 | 11.3 |
| Completeness [%] | 99.9 | 98 | 100 |
| Redundancy | 6.5 | 4.5 | 6.9 |
| CC(1/2) | 0.999 | 0.999 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Ammonium sulfate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |
