7UOF

Dihydroorotase from M. jannaschii

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	2018-12-18
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	111.267, 111.267, 101.233
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.180 - 1.900
R-factor	0.1799
Rwork	0.178
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mpg
RMSD bond length	0.008
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.180	48.180	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.239	0.054	3.188
Number of reflections	57394	593	3683
<I/σ(I)>	9.7
Completeness [%]	100.0	99.2	100
Redundancy	10.9	9	10
CC(1/2)	0.997	0.996	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	35% PEG400, 0.1 M Na Hepes pH 7.5, 0.1 M Zn acetate.