2ZTH
Crystal structure of holo form of rat catechol-o-methyltransferase
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 | 2003-05-26 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.903, 61.089, 105.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.600 |
| R-factor | 0.19573 |
| Rwork | 0.187 |
| R-free | 0.28053 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vid |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.002 |
| 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] | 52.850 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.101 | 0.374 |
| Number of reflections | 6906 | |
| <I/σ(I)> | 14 | 5.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M (NH4)2SO4, 26% PEG 8000, 0.2% Sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
