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 |