5K9D

Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.45867
Spacegroup name	P 32 2 1
Unit cell lengths	90.140, 90.140, 122.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.568 - 1.700
R-factor	0.1375
Rwork	0.136
R-free	0.16010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3g
RMSD bond length	0.009
RMSD bond angle	1.079
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.180	26.568	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.108	0.076	0.413
Number of reflections	63435
<I/σ(I)>	16.3	7.4	1.7
Completeness [%]	99.7	99.2	98.1
Redundancy	14.3	18.5	5.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	298	0.1 M sodium acetate trihydrate pH 4.8 1.8 M ammonium sulfate 30% (v/v) glycerol