5C03

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]	100
Detector technology	CCD
Collection date	2010-08-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	56.120, 47.690, 112.750
Unit cell angles	90.00, 93.72, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.1833
Rwork	0.181
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.276
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]	112.512	47.690	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.039	0.503
Rmeas	0.097
Rpim	0.051	0.025	0.313
Total number of observations	161958	5457	23752
Number of reflections	47018
<I/σ(I)>	9.9	20.6	2.9
Completeness [%]	99.4	99.7	99.5
Redundancy	3.4	3.4	3.5

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