7B9M

Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	81.908, 112.705, 62.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.894 - 1.700
R-factor	0.172
Rwork	0.171
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.260	66.260	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.059	0.024	0.269
Rmeas	0.064	0.027	0.330
Rpim	0.026	0.012	0.186
Total number of observations	181967	1228	2730
Number of reflections	30939	262	1067
<I/σ(I)>	22.1	48.9	3.5
Completeness [%]	95.9	98.9	64.2
Redundancy	5.9	4.7	2.6
CC(1/2)	0.999	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol