5N6N

CRYSTAL STRUCTURE OF THE 14-3-3:NEUTRAL TREHALASE NTH1 COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	160.805, 104.749, 105.638
Unit cell angles	90.00, 121.89, 90.00

Refinement procedure

Resolution	46.155 - 2.290
R-factor	0.1861
Rwork	0.184
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jta homology model of Bmh1 based on 2BR9
RMSD bond length	0.008
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.710	2.420
High resolution limit [Å]	2.290	2.290
Number of reflections	65450	5711
<I/σ(I)>	11.79	1.78
Completeness [%]	97.2	85.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291.15	100 mM sodium cacodylate, 200 mM calcium acetate, 18% (w/v) PEG 8000, 12% (w/v) sucrose