5DC9

CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	66.391, 66.391, 112.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.220 - 1.560
R-factor	0.13823
Rwork	0.137
R-free	0.17060
RMSD bond length	0.011
RMSD bond angle	1.376
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.220	1.600
High resolution limit [Å]	1.560	1.560
Rmerge		0.460
Number of reflections	36108
<I/σ(I)>	34.4	4.3
Completeness [%]	98.2	94.2
Redundancy	8.5	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.1M Imidazole pH 8.5 and 3.4M NaCl