6QVL
Human SHMT2 in complex with pemetrexed
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 160.208, 160.208, 209.442 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.630 - 2.280 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.25908 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.396 |
| 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] | 52.700 | 52.700 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 1458540 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.2 M LiCl2, 0.1 M MES pH 6.0, 20 % PEG6000 |
