3THR
Crystal structure of rat native liver Glycine N-methyltransferase complexed with 5-methyltetrahydrofolate monoglutamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.186, 83.788, 134.436 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 31.190 - 2.000 |
| R-factor | 0.18109 |
| Rwork | 0.178 |
| R-free | 0.24071 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2idk |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.017 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 83512 | |
| <I/σ(I)> | 22.2 | 2.6 |
| Completeness [%] | 92.9 | 84.5 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 20% PEG 3350, 0.2 M Na-fluoride or Ca-acetate, 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
