4PYO
Humanized rat COMT bound to SAH, semi-holo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-03 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.369, 60.380, 148.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.880 - 2.100 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.058 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1448)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.113 | 1.504 |
Number of reflections | 31280 | |
<I/σ(I)> | 10.2398 | 1.4 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.6 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 293 | VAPOR DIFFUSION, SITTING DROP, temperature 293K |