5NVJ

SH3 domain from Mouse cortactin (C 1 2 1 crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976251
Spacegroup name	C 1 2 1
Unit cell lengths	76.610, 35.430, 64.300
Unit cell angles	90.00, 135.90, 90.00

Refinement procedure

Resolution	44.700 - 1.180
Rwork	0.189
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x69
Data reduction software	d*TREK
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.030	0.436
Number of reflections	40754	3626
<I/σ(I)>	9.98	1.01
Completeness [%]	92.4	91.7
Redundancy	1.99	1.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289	1.2 M (NH4)2SO4, 0.1 M sodium citrate pH 5, 1% benzamidine hydrochloride.