8PBR

Mutant R1475Q of the dihydroorotase domain of human CAD protein in apo form

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	2016-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 2 2 21
Unit cell lengths	81.738, 159.318, 61.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 2.060
R-factor	0.1701
Rwork	0.168
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	XDS
Phasing software	PHASER (v8.0)
Refinement software	REFMAC (v8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.450	2.129
High resolution limit [Å]	2.050	2.056
Number of reflections	23812	1777
<I/σ(I)>	14.24	2.32
Completeness [%]	94.3
Redundancy	6.4
CC(1/2)	0.998	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	100 mM HEPES pH 7.0, 2.6 M sodium formate