6GBU

Crystal structure of the second SH3 domain of FCHSD2 (SH3-2) in complex with the fourth SH3 domain of ITSN1 (SH3d)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	I 21 3
Unit cell lengths	186.984, 186.984, 186.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	132.200 - 3.440
R-factor	0.2118
Rwork	0.208
R-free	0.24673
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dl7 1ue9
RMSD bond length	0.011
RMSD bond angle	1.512
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	132.200	3.530
High resolution limit [Å]	3.440	3.440
Rmerge	0.053
Number of reflections	13008
<I/σ(I)>	27.1
Completeness [%]	99.4
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.5M ammonium sulfate, 10% Glycerol, Tris pH8.5