1QPD

STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-09-28
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	42.200, 73.800, 91.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.000
R-factor	0.195 *
Rwork	0.195
R-free	0.23700
RMSD bond length	0.019
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.059	0.121
Total number of observations	161934 *
Number of reflections	20010
<I/σ(I)>	19
Completeness [%]	99.0	100
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	AMMONIUM SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mM)
2	1	reservoir	ammonium sulfate	1.6 (M)
3	1	reservoir	Bis-Tris	0.1 (M)