6U3M

DQ2-P.fluor-alpha1a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	94.935, 96.276, 105.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 1.900
R-factor	0.1907
Rwork	0.190
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.470	1.968
High resolution limit [Å]	1.900	1.900
Rpim	0.058	0.443
Number of reflections	76918	7576
<I/σ(I)>	25.38	2.16
Completeness [%]	99.6	96.94
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG3350 and 0.15M NH4H2PO4