2CKB

STRUCTURE OF THE 2C/KB/DEV8 COMPLEX

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1997-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	295.660, 89.960, 84.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.000
R-factor	0.221
Rwork	0.221
R-free	0.32200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1TCR 1vac
RMSD bond length	0.010
RMSD bond angle	28.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.120
High resolution limit [Å]	3.000	3.000
Rmerge	0.088 *	0.330 *
Total number of observations	314268 *
Number of reflections	37960 *
<I/σ(I)>	9.2	2.1
Completeness [%]	83.3	70.1
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5 *		PROTEIN WAS CRYSTALLIZED FROM 0.2 M TRIS ACETATE PH 7.2 0.1 M SODIUM CHLORIDE 12 % PEG 4000 AND TRANSFERRED IN ETHYLENE GLYCOL CONTAINING PRECIPITANT SOLUTION, FROM 4% TO 22%, BEFORE DATA COLLECTION.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	phosphate	2.0 (M)
2	1	reservoir	methylpentanediol	1.0 (%)