8VHL

Structure of DHODH in Complex with Ligand 17

This is a non-PDB format compatible entry.

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	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	90.744, 90.744, 122.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.590 - 1.930
R-factor	0.16915
Rwork	0.168
R-free	0.19903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dhg
RMSD bond length	0.019
RMSD bond angle	1.990
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]	78.590	78.590	2.180
High resolution limit [Å]	1.930	12.800	1.930
Rmerge	0.065	0.017	0.501
Rmeas	0.084	0.023	0.657
Number of reflections	42552	167	12765
<I/σ(I)>	11.1
Completeness [%]	95.6
Redundancy	2.2		2.1
CC(1/2)	0.997	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.8	293	0.10 M NaAcetat_pH4,8 2.30 M (NH4)2SO4 30 % Glycerol, 18% (w/v) PEG 4000, 0,1M Na3Citrate pH=5.75