5NNL

Inactive dihydroorotase-like domain of Chaetomium thermophilum CAD-like multifunctional protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.93927
Spacegroup name	P 21 21 2
Unit cell lengths	100.771, 109.177, 58.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.814 - 2.130
R-factor	0.2004
Rwork	0.199
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c6m
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.250
High resolution limit [Å]	2.130	2.130
Rmerge	0.110	0.984
Rpim	0.047	0.411
Number of reflections	36234	5197
<I/σ(I)>	11.3	2
Completeness [%]	98.8	97.9
Redundancy	6.5	6.6
CC(1/2)	0.998	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	A construct spanning the DHO-like and ATC domains of C. thermophilum CAD-like protein was used for crystallization at 5 mg/ml. Crystals appear after 2-3 weeks in conditions with 20% PEG 20,000 and 0.1 M citric acid pH 4.5. The crystals only contained the DHO-like domain of the construct that was cleaved off during crystallization.