4LS1

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312

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	2013-07-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97852
Spacegroup name	P 32 2 1
Unit cell lengths	90.860, 90.860, 122.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.613 - 2.200
R-factor	0.1532
Rwork	0.151
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3g
RMSD bond length	0.007
RMSD bond angle	1.297
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.613	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	30357
Completeness [%]	76.5	99.96

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, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K