1B55

PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE

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	1998-02
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	110.205, 110.205, 215.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.400
R-factor	0.234 *
Rwork	0.234
R-free	0.35000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1btk
RMSD bond length	0.022
RMSD bond angle	2.870 *
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 *	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.044 *	0.346 *
Number of reflections	25487
<I/σ(I)>	11.8	2.7
Completeness [%]	96.5	97.6
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.9		pH 4.9

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	9 (%(w/v))
2	1	reservoir	Na acetate	100 (mM)
3	1	reservoir	methanol	10 (%(v/v))
4	1	drop	protein	10 (mg/ml)