5NXJ

SH3 domain from Mouse cortactin (P 1 21 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	P 1 21 1
Unit cell lengths	41.340, 80.080, 61.120
Unit cell angles	90.00, 99.64, 90.00

Refinement procedure

Resolution	60.257 - 2.282
R-factor	0.2002
Rwork	0.198
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x69
RMSD bond length	0.004
RMSD bond angle	0.695
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.257	60.257	2.340
High resolution limit [Å]	2.280	10.210	2.280
Rmerge	0.163	0.055	0.677
Rmeas	0.194	0.066	0.808
Total number of observations	59539
Number of reflections	17678	204	1307
<I/σ(I)>	6.16	14.39	1.87
Completeness [%]	98.4	96.7	98.8
Redundancy	3.368	3.211	3.352
CC(1/2)	0.988	0.997	0.489

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, 3% 2_propanol