3EGU

Crystal structure of the N114A mutant of ABL-SH3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-02
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	P 32 1 2
Unit cell lengths	51.350, 51.350, 46.386
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.610 - 2.250
R-factor	0.222
Rwork	0.220
R-free	0.26700
RMSD bond length	0.012
RMSD bond angle	2.102
Data reduction software	DENZO
Data scaling software	SAINT
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.470	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.053	0.303
Number of reflections	3936
<I/σ(I)>		3.97
Completeness [%]	99.9	100
Redundancy	8.85	4.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	288	2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, pH 7, vapor diffusion, hanging drop, temperature 288K