6BCN

I-LtrI E184D 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	2017-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9798
Spacegroup name	P 1
Unit cell lengths	42.650, 64.020, 168.976
Unit cell angles	89.93, 90.19, 93.64

Refinement procedure

Resolution	35.710 - 2.500
R-factor	0.2393
Rwork	0.237
R-free	0.27620
RMSD bond length	0.007
RMSD bond angle	1.579
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]	84.490	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.109	0.539
Number of reflections	60488
<I/σ(I)>	3.9	1.7
Completeness [%]	98.0	97.1
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M TRIS pH7.0 20%W/V PEG 2000 MME