6BCG

I-LtrI A28G 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-F
Wavelength(s)	0.9798
Spacegroup name	P 1
Unit cell lengths	43.859, 65.942, 169.734
Unit cell angles	89.99, 90.03, 90.24

Refinement procedure

Resolution	35.763 - 2.900
R-factor	0.2649
Rwork	0.263
R-free	0.30680
RMSD bond length	0.009
RMSD bond angle	1.537
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]	66.040	3.010
High resolution limit [Å]	2.900	2.900
Rmerge	0.065	0.336
Number of reflections	80944
<I/σ(I)>	6.7	2
Completeness [%]	99.9	98.99
Redundancy	10.6	5.4

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