7VA1
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.410, 112.520, 87.520 |
| Unit cell angles | 90.00, 92.36, 90.00 |
Refinement procedure
| Resolution | 43.370 - 1.740 |
| R-factor | 0.1979 |
| Rwork | 0.196 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g76 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.859 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.310 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.051 | 0.621 |
| Number of reflections | 85574 | 4491 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Calcium chloride dihydrate 0.1 M Tris 8.0 20 %(w/v) PEG 6000 |
