3RNJ

Crystal structure of the SH3 domain from IRSp53 (BAIAP2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	29.960, 36.640, 58.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.200 - 1.500
R-factor	0.198
Rwork	0.197
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bg5 1y6e 1gne 1DUG and 3QMZ
RMSD bond length	0.004
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	1.520
High resolution limit [Å]	1.500	1.500
Number of reflections	10716
<I/σ(I)>	9.7	2.43
Completeness [%]	99.8	100
Redundancy	4.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M ammonium acetate, 0.1M Tris-HCl pH 8.5, 30% isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 298K