6RJ6
Crystal structure of PHGDH in complex with BI-4924
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-09 |
| Detector | RIGAKU |
| Wavelength(s) | 1.541800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.137, 111.959, 62.505 |
| Unit cell angles | 90.00, 90.99, 90.00 |
Refinement procedure
| Resolution | 39.600 - 1.984 |
| R-factor | 0.263 |
| Rwork | 0.262 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g76 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data scaling software | Aimless (0.5.27) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.496 | 1.991 |
| High resolution limit [Å] | 1.984 | 1.984 |
| Rmerge | 0.153 | 0.570 |
| Rmeas | 0.182 | 0.662 |
| Rpim | 0.097 | 0.373 |
| Total number of observations | 132792 | 15371 |
| Number of reflections | 40459 | 5743 |
| <I/σ(I)> | 6.7 | 2.2 |
| Completeness [%] | 98.6 | 91.7 |
| Redundancy | 3.3 | 2.7 |
| CC(1/2) | 0.982 | 0.512 |
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 |
