6BD0

I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	41.880, 66.740, 159.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.095 - 1.450
R-factor	0.1659
Rwork	0.165
R-free	0.18990
RMSD bond length	0.019
RMSD bond angle	1.796
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.740	1.460
High resolution limit [Å]	1.450	1.450
Rpim	0.046	0.334
Number of reflections	80496
<I/σ(I)>	8.93
Completeness [%]	100.0
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.18 M Tri-ammonium Citrate 20% W/V PEG 3350