6BCH

I-LtrI E29D bound to cognate substrate (nicked 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 PILATUS3 S 6M
Wavelength(s)	0.9798
Spacegroup name	P 1
Unit cell lengths	43.760, 66.315, 169.924
Unit cell angles	90.03, 90.03, 90.22

Refinement procedure

Resolution	38.913 - 3.000
R-factor	0.257
Rwork	0.254
R-free	0.30650
RMSD bond length	0.006
RMSD bond angle	1.005
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]	66.210	3.049
High resolution limit [Å]	3.000	3.000
Rmerge	0.111
Number of reflections	14038
<I/σ(I)>	6.1	2
Completeness [%]	99.9	96.9
Redundancy	5.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M TRIS pH 7.0 20% W/V PEG 2000 MME