6URL

Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	41.700, 41.700, 214.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.515 - 1.720
R-factor	0.1691
Rwork	0.166
R-free	0.20070
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.515	1.780
High resolution limit [Å]	1.720	1.720
Rmerge	0.069	0.840
Number of reflections	21124	2026
<I/σ(I)>	17.75
Completeness [%]	99.3
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	80 mM Tris pH 8.5, 16% Ethanol, 10% PEG-1450