1KW2

CRYSTAL STRUCTURE OF UNCOMPLEXED VITAMIN D-BINDING PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 43
Unit cell lengths	133.925, 133.925, 73.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 - 2.150
Rwork	0.218
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	VITAMIN D-BINDING PROTEIN COMPLEXED WITH ACTIN PDB 1KXP
RMSD bond length	0.005
RMSD bond angle	18.670 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.320
High resolution limit [Å]	2.150	2.150
Rmerge	0.059	0.214
Total number of observations	1041011 *
Number of reflections	67175 *
<I/σ(I)>	27.7	10.2
Completeness [%]	94.9	81.2
Redundancy	15.5	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	PEG 200, 28%, Sodium Acetate, 0.1M, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG200	28 (%)
3	1	reservoir	sodium acetate	100 (mM)	pH4.6