8DHF
DHODH IN COMPLEX WITH LIGAND 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999880850315 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.850, 90.850, 123.667 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.680 - 1.780 |
| R-factor | 0.1625 |
| Rwork | 0.162 |
| R-free | 0.18080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d3g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.567 |
| 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] | 78.680 | 2.030 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.051 | 0.475 |
| Rmeas | 0.060 | 0.559 |
| Number of reflections | 56905 | 18432 |
| <I/σ(I)> | 15.79 | 3.02 |
| Completeness [%] | 99.1 | 99.7 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.999 | 0.854 |
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, 18% (w/v) PEG 4000, 0.1M Trisodium Citrate pH 5.75 |
