4JJB

Crystal structure of the Abl-SH3 domain at pH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 32 1 2
Unit cell lengths	50.470, 50.470, 45.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.520 - 1.650
R-factor	0.1675
Rwork	0.165
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg3
RMSD bond length	0.009
RMSD bond angle	1.071
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.708	19.670	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.139	0.157	0.141
Number of reflections	7859
<I/σ(I)>	7.8	9.3	4.8
Completeness [%]	97.8	87.4	96.9
Redundancy	5.1	4.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	capillary counterdiffusion	3	298	3M ammonium sulphate, 5% PEG 200, 0.05M glycine, capillary counterdiffusion, temperature 298K