3APT
properties and crystal structure of methylenetetrahydrofolate reductase from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.924, 89.673, 160.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 1.850 |
| R-factor | 0.20511 |
| Rwork | 0.203 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v93 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.136 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (10.2.31) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.970 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 | 0.286 |
| Number of reflections | 55102 | |
| <I/σ(I)> | 17.6 | 4.83 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 7.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 293 | PH 4.3-4.5, 293K, 0.2M SODIUM ACETATE, 1M LITHIUM CHROLIDE, 10% PEG 6000, 10-20% GLYCEROL, 2-5% DIOXANE, VAPOR DIFFUSION, HANGING DROP |
