6QHM

14-3-3 sigma with RelA/p65 binding site pS281

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033220
Spacegroup name	C 2 2 21
Unit cell lengths	82.500, 111.940, 62.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.970 - 1.250
R-factor	0.1372
Rwork	0.136
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.007
RMSD bond angle	0.876
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.570	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.075	0.744
Rmeas	0.079	0.880
Number of reflections	80102	4152
<I/σ(I)>	15.2
Completeness [%]	99.9	99
Redundancy	8.9	6.5
CC(1/2)	0.999	0.723

Crystallization Conditions

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