6S83
Crystal structure of methionine adenosyltransferase from Pyrococcus furiosus in complex with AMPPCP, SAM, and PCP
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 | 2014-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.196, 111.430, 400.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.466 - 2.336 |
| R-factor | 0.2088 |
| Rwork | 0.207 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s81 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.510 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.200 | 200.200 | 2.460 |
| High resolution limit [Å] | 2.336 | 7.390 | 2.340 |
| Rmerge | 0.270 | 0.092 | 3.016 |
| Rmeas | 0.281 | 0.096 | 3.130 |
| Rpim | 0.076 | 0.027 | 0.833 |
| Total number of observations | 64953 | 300679 | |
| Number of reflections | 149431 | 5159 | 21556 |
| <I/σ(I)> | 6.9 | 22.9 | 0.9 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 13.6 | 12.6 | 13.9 |
| CC(1/2) | 0.995 | 0.996 | 0.451 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.1 M Bis Tris pH 6.5, 5 mM MgCl2, 28% v/v PEG 600 |
