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 |