7TH4
T. thermophilus methylenetetrahydrofolate reductase complex with 5-formyltetrahydrofolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.069, 89.545, 161.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.130 - 1.450 |
| R-factor | 0.1335 |
| Rwork | 0.131 |
| R-free | 0.17830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3apy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.587 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.130 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.086 | 0.979 |
| Rmeas | 0.098 | 0.114 |
| Rpim | 0.046 | 0.581 |
| Number of reflections | 116419 | 5654 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 4.3 | 3.7 |
| CC(1/2) | 0.995 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 0.1M sodium acetate buffer pH 4.5, 2.5M NaCl, 0.2M lithium sulfate, 1.2% myo-inositol |
