1MHO

THE 2.0 A STRUCTURE OF HOLO S100B FROM BOVINE BRAIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995-10-02
Detector	RIGAKU
Spacegroup name	C 2 2 21
Unit cell lengths	36.160, 89.660, 58.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.194 *
Rwork	0.195
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN FROM BOVINE INTESTINE
RMSD bond length	0.017
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.171
Total number of observations	17098 *
Number of reflections	6282
<I/σ(I)>	7
Completeness [%]	93.8	91.3
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1 *	20 *	HANGING-DROP VAPOR DIFFUSION METHOD, pH 8.0, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	sodium cacodylate	0.1 (M)
3	1	reservoir		5.0 (mM)
4	1	reservoir	PEG4000	24 (%)