5JN0

CRK-II SH2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	86.082, 86.082, 33.847
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.819 - 1.677
R-factor	0.1713
Rwork	0.170
R-free	0.20980
RMSD bond length	0.002
RMSD bond angle	0.766
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.819	50.000	1.700
High resolution limit [Å]	1.670	4.530	1.670
Rmerge	0.048	0.045	0.170
Rmeas	0.056	0.052	0.222
Rpim	0.028	0.026	0.143
Total number of observations	40731
Number of reflections	10693
<I/σ(I)>	14.8
Completeness [%]	98.5	99.8	69.9
Redundancy	3.8	4	1.8
CC(1/2)		0.994	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	100 mM MES pH 6.5, 12% PEG 20,000