6RJQ

Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	81.050, 112.090, 62.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.580 - 1.885
R-factor	0.1859
Rwork	0.183
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.270	1.930
High resolution limit [Å]	1.885	1.890
Rmerge		2.622
Rmeas	0.288	2.902
Number of reflections	21923	1326
<I/σ(I)>	8.9	3.3
Completeness [%]	93.8	88.4
Redundancy	6.6	6.6
CC(1/2)	0.984	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	277	0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol