6HFD

Human dihydroorotase mutant F1563L apo structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	81.560, 158.770, 60.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.693 - 1.870
R-factor	0.133602038053
Rwork	0.132
R-free	0.16698
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c6c
RMSD bond length	0.005
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.550	1.900
High resolution limit [Å]	1.850	1.850
Rmeas	0.089	0.686
Number of reflections	62727	2507
<I/σ(I)>	17.8	3.8
Completeness [%]	99.9	99.9
Redundancy	6.5	6.6
CC(1/2)	0.999	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Protein at 2-3 mg/ml in 20 mM Tris pH 8, 0.15 M NaCl, 0.02 mM zinc sulfate, 0.2 mM TCEP Mother liquor: 2.5-3 M potassium formate, 0.1 M HEPES pH 7