3S82
Structure of a S-adenosylmethionine synthetase from Mycobacterium avium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 60.030, 88.180, 184.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.730 |
| R-factor | 0.1576 |
| Rwork | 0.157 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rg9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.309 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 185.000 | 185.000 | 1.770 |
| High resolution limit [Å] | 1.730 | 7.740 | 1.730 |
| Rmerge | 0.042 | 0.013 | 0.248 |
| Number of reflections | 100009 | 1204 | 6061 |
| <I/σ(I)> | 21.03 | 61.7 | 2.8 |
| Completeness [%] | 97.2 | 91.3 | 80.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 14.4% PEG8000, 20% glycerol, 80mM cacodylate pH 6.5, 160mM Calcium acetate. protein 11.42 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
