4JJD

Crystal structure of the N114A Abl-SH3 domain mutant at pH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-26
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	C 2 2 2
Unit cell lengths	43.246, 51.715, 39.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.102 - 1.600
R-factor	0.1877
Rwork	0.186
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg3
RMSD bond length	0.017
RMSD bond angle	1.450
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.917	39.920	1.700
High resolution limit [Å]	1.600	4.700	1.600
Rmerge	0.046	0.032	0.244
Number of reflections	5542
<I/σ(I)>	21.38	69.5	4.38
Completeness [%]	89.9	99.6	80.9
Redundancy	5.25	11.23	2.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	1.5M ammonium sulphate, 5% PEG 300, 10% Glycerol, 0.1M sodium acetate, pH 4, vapor diffusion, hanging drop, temperature 298K