2ZVJ
Crystal structures of rat Catechol-O-Methyltransferase complexed with coumarine-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-08 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 50.448, 50.448, 167.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.300 - 2.300 |
| R-factor | 0.2187 |
| Rwork | 0.211 |
| R-free | 0.28646 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vid |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.667 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.074 | 0.181 |
| Number of reflections | 11591 | |
| <I/σ(I)> | 16.7 | 8.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M (NH4)2SO4, 30% PEG 8000, 0.1M Tris pH7.5, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
