6HFI

Human dihydroorotase mutant F1563A 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	2014-04-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	81.800, 159.090, 61.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.245 - 1.460
R-factor	0.130072421259
Rwork	0.128
R-free	0.16408
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c6c
RMSD bond length	0.013
RMSD bond angle	1.302
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]	79.500	1.500
High resolution limit [Å]	1.460	1.460
Rmeas	0.062	0.714
Number of reflections	132840	5050
<I/σ(I)>	18.1
Completeness [%]	99.6	99.5
Redundancy	6.5	3.1
CC(1/2)	0.999	0.901

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