2ZLB
Crystal structure of APO 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] | 93 |
| Detector technology | CCD |
| Collection date | 2003-07-04 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.262, 56.262, 117.483 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.18159 |
| Rwork | 0.179 |
| R-free | 0.23747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vid |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.144 |
| 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] | 39.160 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 0.241 |
| Number of reflections | 11356 | |
| <I/σ(I)> | 20 | 7.5 |
| Completeness [%] | 98.7 | 94.6 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M (NH4)2SO4, 30% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
