4O46

14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 41 21 2
Unit cell lengths	121.829, 121.829, 314.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.530 - 2.900
R-factor	0.2262
Rwork	0.226
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uzd
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	113.590	38.526	3.060
High resolution limit [Å]	1.800	9.170	1.800
Rmerge		0.028	0.920
Total number of observations		24449	115226
Number of reflections	53464
<I/σ(I)>	21.7	20.3	0.8
Completeness [%]	100.0	98.7	100
Redundancy	14.8	12.9	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			291	20% PEG3350, 0.2 M magnesium nitrate, temperature 291K