6RP6

Fragment AZ-019 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	81.970, 112.020, 62.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.576 - 1.885
R-factor	0.1598
Rwork	0.157
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.010
RMSD bond angle	0.953
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]	41.860	1.640
High resolution limit [Å]	1.620	1.620
Rmeas	0.082	0.391
Number of reflections	31371	111
<I/σ(I)>	14	1.1
Completeness [%]	83.4	6.1
Redundancy	5.6	1.2
CC(1/2)	0.998	0.862

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