1LOT

CRYSTAL STRUCTURE OF THE COMPLEX OF ACTIN WITH VITAMIN D-BINDING PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	80.171, 87.341, 159.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.226
R-free	0.27500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1ATN AND 1J78
RMSD bond length	0.007 *
RMSD bond angle	1.300 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.060 *	0.276 *
Total number of observations	473796 *
Number of reflections	39585 *
<I/σ(I)>	15.2	4.5
Completeness [%]	99.3	96.7
Redundancy	12	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	290	PEG8000, cacodylate, calcium acetate, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
10	1	reservoir	glycerol	10 (%)
2	1	drop	Tris-HCl	5 (mM)
3	1	drop	sodium azide	2 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop		2 (mM)
6	1	drop	ATP	5 (mM)	pH7.6
7	1	reservoir	calcium acetate	0.1 (M)
8	1	reservoir	cacodylate	0.05 (M)	pH6.5
9	1	reservoir	PEG8000	9 (%)