8K4F
DHODH in complex with compound A0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.261, 91.261, 123.005 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 2.480 |
| R-factor | 0.15618 |
| Rwork | 0.154 |
| R-free | 0.20379 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.947 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.620 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Number of reflections | 20687 | 3025 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 97.1 | |
| Redundancy | 8.8 | |
| CC(1/2) | 0.985 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M PH 4.6 CH3COONa, 1.6-2.0 M (NH4)2SO4, 30-36% glycerol |
