1MZ9

Storage function of COMP:the crystal structure of the coiled-coil domain in complex with vitamin D3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	38.295, 49.289, 55.260
Unit cell angles	90.00, 103.87, 90.00

Refinement procedure

Resolution	5.990 - 1.700
R-factor	0.231
Rwork	0.231
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	15.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
High resolution limit [Å]	1.700 *
Rmerge	0.059 *
Total number of observations	300112 *
Number of reflections	22133
Completeness [%]	100.0 *
Redundancy	4.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
4	1	reservoir	PEG4000	30 (%)