6G6R
Human Methionine Adenosyltransferase II with SAMe and PPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.630, 94.000, 116.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.200 - 1.350 |
| R-factor | 0.13853 |
| Rwork | 0.137 |
| R-free | 0.16186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a1i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.690 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.200 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.086 | 0.575 |
| Rmeas | 0.106 | 0.734 |
| Rpim | 0.061 | 0.451 |
| Number of reflections | 80461 | 3880 |
| <I/σ(I)> | 8.5 | 2.1 |
| Completeness [%] | 98.7 | 97.1 |
| Redundancy | 5 | 4.2 |
| CC(1/2) | 0.994 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30% PEG600 0.1M HEPES pH 7.0 |
