2AVD
Crystal Structure of Human Catechol-O-methyltransferase domain containing 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.882, 65.222, 61.799 |
| Unit cell angles | 90.00, 102.66, 90.00 |
Refinement procedure
| Resolution | 60.300 - 1.700 |
| R-factor | 0.17357 |
| Rwork | 0.172 |
| R-free | 0.21291 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sui |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.444 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.300 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | 0.410 |
| Number of reflections | 41907 | |
| <I/σ(I)> | 10.4 | 2 |
| Completeness [%] | 94.4 | 72.3 |
| Redundancy | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
