9YD7

Complex of Dihydroorotase from M. jannaschii with Carbamoyl Aspartate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	298
Detector technology	CMOS
Collection date	2019-08-11
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	111.380, 111.380, 101.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.230 - 1.870
R-factor	0.1694
Rwork	0.169
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.956
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.119	1.635
Rmeas	0.129	1.812
Rpim	0.048	0.764
Number of reflections	59804	3635
<I/σ(I)>	12.1	0.9
Completeness [%]	99.3	93.7
Redundancy	6.9	5.1
CC(1/2)	0.998	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Reservoirs: 35% PEG400, 0.1 M Zn acetate and 0.1 M Na Mes pH 6.5. Drops: 2 ul protein 6.7 mg/ml, 1 ul reservoir, 0.5 ul dihydroorotate stock of 65 mM