6PEY
MTHFR with mutation Asp120Ala
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9202 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.747, 127.744, 95.456 |
| Unit cell angles | 90.00, 120.90, 90.00 |
Refinement procedure
| Resolution | 28.970 - 2.880 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zp3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.970 | 2.940 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.095 | 0.984 |
| Number of reflections | 22352 | 1392 |
| <I/σ(I)> | 8.6 | 0.8 |
| Completeness [%] | 98.2 | 83.7 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.430 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | MembFac |
