8VHM

Structure of DHODH in Complex with Fragment 2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97948
Spacegroup name	P 32 2 1
Unit cell lengths	90.904, 90.904, 123.135
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.720 - 2.260
R-factor	0.197
Rwork	0.196
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.720	78.720	2.510
High resolution limit [Å]	2.260	14.740	2.260
Rmerge	0.088	0.027	0.496
Rmeas	0.103	0.033	0.585
Number of reflections	27268	95	7334
<I/σ(I)>	12.06		2.47
Completeness [%]	96.9		97.9
Redundancy	3.5		3.4
CC(1/2)	0.995	1.000	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.8	293	0.10 M NaAcetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol