8DHG
DHODH IN COMPLEX WITH LIGAND 19
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99989 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.353, 91.353, 122.797 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.110 - 1.850 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d3g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.602 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.110 | 2.100 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.055 | 0.489 |
| Rmeas | 0.064 | 0.563 |
| Number of reflections | 51023 | 15944 |
| <I/σ(I)> | 18.66 | 3.11 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 0.999 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.8 | 293 | 0.10 M Sodium Acetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol |
