5O6B

Structure of ScPif1 in complex with GGGTTTT and ADP-AlF4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979150
Spacegroup name	P 21 21 21
Unit cell lengths	75.246, 88.373, 187.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.707 - 2.029
R-factor	0.1947
Rwork	0.193
R-free	0.23790
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoSHARP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.710	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.060	0.490
Number of reflections	80210	7015
<I/σ(I)>	17.01	2.23
Completeness [%]	98.1	86.8
Redundancy	6.3	3.1
CC(1/2)	0.990	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.1M Tris-HCl 0.2M Na2SO4 15% EPEG5000-MME