5OAZ

Crystal structure of the Abl-SH3 domain at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 32
Unit cell lengths	49.919, 49.919, 45.046
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.030
R-factor	0.1455
Rwork	0.145
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jjb
RMSD bond length	0.010
RMSD bond angle	1.114
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.970	1.050
High resolution limit [Å]	1.030	5.640	1.030
Rmerge	0.036	0.037	0.592
Rmeas	0.040	0.043	0.726
Rpim	0.019	0.022	0.409
Number of reflections	118361
<I/σ(I)>	29.7
Completeness [%]	95.3	96.3	89.5
Redundancy	4.9	4.3	2.6
CC(1/2)	0.998	0.991	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.65 M Ammonium sulphate, 0.1 M Hepes and 6% PEG 300