8DHH
DHODH IN COMPLEX WITH LIGAND 29
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 | 2019-04-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00002 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.778, 91.778, 122.480 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 79.480 - 2.020 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.21560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d3g |
RMSD bond length | 0.010 |
RMSD bond angle | 1.502 |
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] | 79.480 | 2.270 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.068 | 0.499 |
Rmeas | 0.073 | 0.533 |
Number of reflections | 39538 | 11503 |
<I/σ(I)> | 21.61 | 4.84 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 8 | 8.1 |
CC(1/2) | 0.999 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.8 | 293 | 0.10 M Sodium Acetate pH4.8, 2.30 M (NH4)2SO4, 30% Glycerol |