1GZN

Structure of PKB kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	149.523, 149.523, 39.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 * - 2.600 *
R-factor	0.268
Rwork	0.268
R-free	0.31400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdk
RMSD bond length	0.010
RMSD bond angle	1.530 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.057	0.255
Total number of observations	92809 *
Number of reflections	16090
<I/σ(I)>	14.8
Completeness [%]	99.7	99.3
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5 *	20 *	30% PEG 8K, 0.2 M LITHIUM SULPHATE 0.1 M TRIS, 10 MG/ML PROTEIN, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	1	AMP-PNP-MgCl2	5 (mM)
3	1	1	PEG400	30 (%(w/v))
4	1	1	lithium sulfate	0.2 (M)
5	1	1	Tris-HCl	0.1 (M)	pH8.5
6	1	1	dithiothreitol	5 (mM)