6QZR

14-3-3 sigma in complex with FOXO1 pT24 peptide

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	2018-07-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	149.205, 62.806, 154.044
Unit cell angles	90.00, 103.24, 90.00

Refinement procedure

Resolution	118.810 - 2.300
R-factor	0.22341
Rwork	0.221
R-free	0.26668
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.012
RMSD bond angle	1.533
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.810	2.340
High resolution limit [Å]	2.300	2.300
Rmeas	0.108	0.458
Number of reflections	124223	6125
<I/σ(I)>	10.8	3.8
Completeness [%]	100.0	99.7
Redundancy	6.5	6.6
CC(1/2)	0.983	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1M Bis-Tris propane pH 7, 0.2M Sodium nitrate, 28% (w/v) PEG400, 5% (w/v) glycerol