2PCN
Crystal structure of S-adenosylmethionine: 2-dimethylmenaquinone methyltransferase (gk_1813) from geobacillus kaustophilus HTA426
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45PX |
Synchrotron site | SPring-8 |
Beamline | BL45PX |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-11 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 84.573, 84.573, 83.338 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.220 - 1.900 |
R-factor | 0.176 |
Rwork | 0.176 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nxj |
RMSD bond length | 0.004 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.075 | 0.210 |
Number of reflections | 17473 | |
Completeness [%] | 99.8 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | OIL BATCH METHOD | 6.5 | 293 | 0.1M SODIUM CACODYLATE TRIHYDRATE, 1.4M SODIUM ACETATE TRIHYDRATE, pH 6.5, OIL BATCH METHOD, temperature 293K |