6FCX
Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9281 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.337, 127.942, 147.015 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.971 - 2.500 |
| R-factor | 0.2123 |
| Rwork | 0.210 |
| R-free | 0.24750 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.296 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 96.512 | 63.971 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.050 | 1.362 | |
| Rmeas | 0.093 | 0.054 | 1.473 |
| Rpim | 0.034 | 0.021 | 0.556 |
| Total number of observations | 479094 | ||
| Number of reflections | 479094 | 2237 | 9272 |
| <I/σ(I)> | 12.8 | 9.6 | 0.6 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 7.5 | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M Sodium Citrate tribasic, 22.5% PEG4K, 5% 2-propanol |
