5OMA

CH3 chimera of human 14-3-3 sigma with the StARD1 peptide including Ser57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 41 21 2
Unit cell lengths	123.251, 123.251, 162.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 3.900
R-factor	0.212
Rwork	0.209
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LU1 (monomer)
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.000	47.000	4.130
High resolution limit [Å]	3.890	11.390	3.890
Rmerge	0.265	0.057	2.885
Rmeas	0.277	0.060	3.006
Number of reflections	12047	553	1870
<I/σ(I)>	6.88	34.84	0.97
Completeness [%]	99.7	97	99.2
Redundancy	12.71	10.837	12.658
CC(1/2)	0.998	0.998	0.214

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M bis-Trispropane pH 6.5, 0.2 M ammonium sulfate, 25% PEG 3350