5N5T

14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	81.512, 112.273, 62.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.154 - 1.800
R-factor	0.1599
Rwork	0.159
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.004
RMSD bond angle	0.587
Data reduction software	XDS
Data scaling software	Aimless (0.5.7)
Phasing software	BUSTER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.960	65.960	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.034	0.015	0.129
Rmeas	0.037	0.017	0.146
Rpim	0.015	0.007	0.067
Total number of observations	167853
Number of reflections	26972
<I/σ(I)>	42.1
Completeness [%]	99.8	98.5	98.2
Redundancy	6.2	5.1	4.4
CC(1/2)	1.000	1.000	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.095 M Na-HEPES pH 7.1, 28% PEG400, 0.19 M Calcium chloride, 5% Glycerol