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 |