6S4A
Structure of human MTHFD2 in complex with TH9028
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 65 |
| Unit cell lengths | 115.068, 115.068, 113.549 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 113.550 - 1.950 |
| R-factor | 0.17013 |
| Rwork | 0.168 |
| R-free | 0.21138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.809 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 62083 | 4342 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.8, 80 % v/v MPD |
