1X1A
Crystal structure of BchU complexed with S-adenosyl-L-methionine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2004-10-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 81.367, 81.367, 251.616 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.940 - 2.600 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x19 |
RMSD bond length | 0.040 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 16137 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 21.6 | 22.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M TRIS, 1.5M ammonium sulfate, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |