4ZL1

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-05
Detector	RAYONIX MX-225
Wavelength(s)	0.97852
Spacegroup name	P 32 2 1
Unit cell lengths	91.319, 91.319, 122.824
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.040 - 1.860
R-factor	0.1609
Rwork	0.160
R-free	0.17893
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jtu
RMSD bond length	0.026
RMSD bond angle	2.264
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.040	1.908
High resolution limit [Å]	1.860	1.860
Number of reflections	47711
<I/σ(I)>	1.3
Completeness [%]	99.9	98.99
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1mM inhibitor