6HG1

Hybrid dihydroorotase domain of human CAD with E. coli flexible loop in apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	81.049, 160.591, 58.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.356 - 2.120
R-factor	0.1754
Rwork	0.174
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c6c
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	XDS ((1.14_3260: ???))
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.360	2.190
High resolution limit [Å]	2.120	2.120
Rmeas	0.085	0.985
Number of reflections	22259	2197
<I/σ(I)>	13.3	2.5
Completeness [%]	99.5	99.2
Redundancy	6.5	6
CC(1/2)	0.998	0.806

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 7.5