8PBQ

Mutant R1810Q of the dihydroorotase domain of human CAD protein bound to the substrates

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	2023-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	82.294, 158.810, 61.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 1.540
R-factor	0.1484
Rwork	0.147
R-free	0.17590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.134
Phasing software	PHASER (v8.0)
Refinement software	REFMAC (v8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	1.595
High resolution limit [Å]	1.540	1.540
Number of reflections	393684	38757
<I/σ(I)>	18.99	2.35
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 mM HEPES pH 7.5, 3.2M sodium formate, 2 mM carbamoyl aspartate