5OFM
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
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 | 2014-12-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.342, 45.860, 56.175 |
| Unit cell angles | 97.91, 110.74, 106.39 |
Refinement procedure
| Resolution | 50.660 - 1.500 |
| R-factor | 0.19415 |
| Rwork | 0.191 |
| R-free | 0.24917 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.155 |
| Data reduction software | xia2 (0.3.8.0) |
| Data scaling software | xia2 (0.3.8.0) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.660 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.376 |
| Rpim | 0.058 | 0.344 |
| Number of reflections | 51430 | 2547 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 86.4 | 86.3 |
| Redundancy | 2.1 | 2 |
| CC(1/2) | 0.990 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M PCTP, pH 7, 23-25 % PEG 1500 |
