7XLF
Crystal structure of CH3-THF complex of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-09-23 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.127, 170.347, 45.151 |
| Unit cell angles | 90.00, 104.55, 90.00 |
Refinement procedure
| Resolution | 38.880 - 1.850 |
| R-factor | 0.1825 |
| Rwork | 0.181 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xg9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.927 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.700 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.101 | 0.853 |
| Rpim | 0.064 | 0.537 |
| Number of reflections | 46088 | 2827 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277.15 | 20% (w/v) PEG 4000, 0.1 M sodium citrate pH 4.5 |
