7K2U
DHODH IN COMPLEX WITH LIGAND 13
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 | 2019-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.607, 90.607, 122.749 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.470 - 1.730 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.470 | 1.980 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.064 | 0.499 |
| Rmeas | 0.070 | 0.549 |
| Number of reflections | 59048 | 19827 |
| <I/σ(I)> | 17.96 | 4.01 |
| Completeness [%] | 96.2 | 98.2 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.10 M NaAcetate pH 4.8, 2.30 M (NH4)2SO4, 30 % Glycerol, 18% (w/v) PEG 4000, 0.1M Na3Citrate pH5.75 |
