6XWD

14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif

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	2019-09-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.911650
Spacegroup name	C 2 2 21
Unit cell lengths	82.000, 111.600, 62.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.369 - 1.600
R-factor	0.167601021414
Rwork	0.166
R-free	0.19621
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.006
RMSD bond angle	0.778
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.369	1.700
High resolution limit [Å]	1.600	1.600
Rmeas	0.111	0.784
Number of reflections	38136	6243
<I/σ(I)>	15.06	2.66
Completeness [%]	100.0	100
Redundancy	13.4	13.6
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M HEPES pH7.3 0.19 M CaCl2 5% glycerol 28% PEG400