1BWN

PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT E41K IN COMPLEX WITH INS(1,3,4,5)P4

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1997-02
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	110.784, 110.784, 215.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.100
R-factor	0.214 *
Rwork	0.214
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bwn
RMSD bond length	0.020
RMSD bond angle	19.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.037 *	0.322 *
Number of reflections	39294
Completeness [%]	99.4	99.5
Redundancy	3.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5		pH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%(w/v))
2	1	reservoir	Na acetate	100 (mM)
3	1	drop	protein	10 (mg/ml)