4JJC

Crystal structure of the Abl-SH3 domain at pH5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 32 1 2
Unit cell lengths	50.288, 50.288, 45.167
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.801 - 1.600
R-factor	0.1762
Rwork	0.174
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg3
RMSD bond length	0.010
RMSD bond angle	1.196
Data reduction software	HKL-2000
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]	43.551	20.000	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.074	0.058	0.315
Number of reflections	8341
<I/σ(I)>	15.46
Completeness [%]	94.9	95.7	96.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	capillary counterdiffusion	5	298	1.5M ammonium sulphate, 5% PEG 300, 0.1M acetate, capillary counterdiffusion, temperature 298K