8DHG

DHODH IN COMPLEX WITH LIGAND 19

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	2019-03-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.99989
Spacegroup name	P 32 2 1
Unit cell lengths	91.353, 91.353, 122.797
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.110 - 1.850
R-factor	0.1629
Rwork	0.162
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3g
RMSD bond length	0.012
RMSD bond angle	1.602
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]	79.110	2.100
High resolution limit [Å]	1.850	1.850
Rmerge	0.055	0.489
Rmeas	0.064	0.563
Number of reflections	51023	15944
<I/σ(I)>	18.66	3.11
Completeness [%]	99.7	99.8
Redundancy	4.1	4
CC(1/2)	0.999	0.868

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