5N5R

14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-16
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	81.962, 111.974, 62.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.741 - 1.801
R-factor	0.1506
Rwork	0.149
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.012
RMSD bond angle	0.916
Data reduction software	XDS
Data scaling software	Aimless (0.5.7)
Phasing software	BUSTER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.480	45.480	1.840
High resolution limit [Å]	1.800	9.010	1.800
Rmerge	0.040	0.014	0.169
Rmeas	0.043	0.016	0.190
Rpim	0.017	0.007	0.083
Number of reflections	26488
<I/σ(I)>	38.9
Completeness [%]	98.1	98.8	87.1
Redundancy	6.3	5.1	4.7
CC(1/2)	1.000	1.000	0.977

Crystallization Conditions

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