6YOY

14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-16
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	C 2 2 21
Unit cell lengths	82.663, 112.365, 62.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 1.800
R-factor	0.1886
Rwork	0.186
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qhl
RMSD bond length	0.005
RMSD bond angle	0.700
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.270	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.238
Rmeas	0.072	0.262
Number of reflections	26420	1742
<I/σ(I)>	18.1	4
Completeness [%]	96.6	87.5
Redundancy	6.4
CC(1/2)	0.999	0.972

Crystallization Conditions

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