1QCF

CRYSTAL STRUCTURE OF HCK IN COMPLEX WITH A SRC FAMILY-SELECTIVE TYROSINE KINASE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1999-10-22
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	51.015, 99.002, 103.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 2.000
R-factor	0.215 *
Rwork	0.215
R-free	0.25700
RMSD bond length	0.007
RMSD bond angle	1.540 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.086	0.277
Total number of observations	426133 *
Number of reflections	35042	4250 *
<I/σ(I)>	28.2
Completeness [%]	98.3	95.2
Redundancy	6.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mM)
2	1	drop	DMSO	20 (%)
3	1	reservoir	PEG10000	28 (%(w/v))
4	1	reservoir	HEPES/NaOH	100 (mM)