5C01

Crystal Structure of kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Collection date	2010-08-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	56.340, 48.170, 114.210
Unit cell angles	90.00, 93.28, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.1969
Rwork	0.195
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.338
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.373	49.336	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.043	0.411
Rmeas	0.116
Rpim	0.060	0.026	0.264
Total number of observations	119960	4077	15631
Number of reflections	33558
<I/σ(I)>	8.9	18.5	2.8
Completeness [%]	99.6	99.7	98.8
Redundancy	3.6	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	18-22% PEG 4000, 0.1 M Tris, pH 8.5, 200 mM CaCl2