6RJ3
Crystal structure of PHGDH in complex with compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-09 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.282, 111.967, 65.814 |
| Unit cell angles | 90.00, 94.59, 90.00 |
Refinement procedure
| Resolution | 37.450 - 1.420 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g76 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.600 | 1.590 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Number of reflections | 117181 | 33354 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.999 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 25 % PEG 8000, 0.1 M MES, 0.2 M Lithium sulphate |
