6TLG

Ligand-free state of human 14-3-3 sigma isoform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	I 21 21 21
Unit cell lengths	63.440, 103.390, 157.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.920 - 2.400
R-factor	0.214
Rwork	0.212
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yz5
RMSD bond length	0.007
RMSD bond angle	1.688
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.440	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.108	0.405
Rmeas	0.122	0.461
Rpim	0.056	0.216
Number of reflections	19842	2964
<I/σ(I)>	5.6	2.2
Completeness [%]	96.6	98.9
Redundancy	3.9	4.1
CC(1/2)	0.991	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	281	40 % wt/vol PEG 4000, 600mM ammonium sulfate, 100 mM Tris-HCl, pH 9.0