8EAC
Thermus thermophilus methylenetetrahydrofolate reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.1271 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.284, 89.055, 161.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.734 - 1.900 |
Rwork | 0.206 |
R-free | 0.25010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3apt |
RMSD bond length | 0.010 |
RMSD bond angle | 1.594 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.060 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 49988 | 2948 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 97.7 | |
Redundancy | 6.5 | |
CC(1/2) | 0.996 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 297 | 0.1M Hepes pH7.8, 1M LiCl, 20% PEG6k |