6S4E
Structure of human MTHFD2 in complex with TH7299
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.93 |
| Spacegroup name | I 4 |
| Unit cell lengths | 74.559, 74.559, 99.248 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.370 - 1.900 |
| R-factor | 0.15827 |
| Rwork | 0.156 |
| R-free | 0.20546 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.632 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.400 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 21496 | 1176 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Phosphate/Citrate pH 4.3, 42 % v/v PEG300 |
