7DKN
Crystal structure of Sulfurisphaera tokodaii 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 | 48.072, 52.705, 61.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.052 - 1.790 |
| Rwork | 0.180 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.689 |
| 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] | 40.052 | 40.050 | 1.830 |
| High resolution limit [Å] | 1.790 | 8.950 | 1.790 |
| Rmerge | 0.055 | 0.032 | 0.141 |
| Rmeas | 0.060 | 0.036 | 0.166 |
| Rpim | 0.024 | 0.014 | 0.085 |
| Total number of observations | 758 | 2696 | |
| Number of reflections | 15203 | 153 | 815 |
| <I/σ(I)> | 20.8 | 30.7 | 6.2 |
| Completeness [%] | 99.3 | 99.3 | 92.4 |
| Redundancy | 5.9 | 5 | 3.3 |
| CC(1/2) | 0.998 | 0.999 | 0.973 |
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 |
