6S81
Crystal structure of methionine adenosyltransferase from Pyrococcus furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-01-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.108, 133.900, 213.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 106.550 - 1.784 |
| R-factor | 0.2106 |
| Rwork | 0.209 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p7l 1rg9 3iml 1qm4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.717 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 133.900 | 133.900 | 1.880 |
| High resolution limit [Å] | 1.780 | 5.640 | 1.780 |
| Rmerge | 0.257 | 0.055 | 5.085 |
| Rmeas | 0.267 | 0.057 | 5.305 |
| Rpim | 0.073 | 0.016 | 1.488 |
| Total number of observations | 2208219 | 72032 | 294645 |
| Number of reflections | 166737 | 5711 | 23946 |
| <I/σ(I)> | 8.2 | 30.4 | 0.6 |
| Completeness [%] | 99.9 | 99.9 | 99.4 |
| Redundancy | 13.2 | 12.6 | 12.3 |
| CC(1/2) | 0.998 | 0.999 | 0.474 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 290 | 0.1 M MES pH 5.5, 0.05 M Mn(HCOO)2, 30% v/v PEG MME 550 |
