5N75

14-3-3 sigma in complex with TAZ pS89 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-25
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	82.176, 112.269, 62.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.386 - 1.803
R-factor	0.1547
Rwork	0.153
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.005
RMSD bond angle	0.707
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	BUSTER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.600	45.600	1.840
High resolution limit [Å]	1.800	9.010	1.800
Rmerge	0.039	0.017	0.120
Rmeas	0.043	0.019	0.136
Rpim	0.017	0.008	0.063
Number of reflections	27105
<I/σ(I)>	33.3
Completeness [%]	99.6	98.3	94.5
Redundancy	6.2	4.5	4.3
CC(1/2)	0.999	1.000	0.989

Crystallization Conditions

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