6N7O

Crystal structure of GIL01 gp7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	85
Detector technology	CCD
Collection date	2016-07-25
Detector	RAYONIX MX300HE
Wavelength(s)	.9801
Spacegroup name	P 21 21 21
Unit cell lengths	39.690, 44.700, 46.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.158 - 1.700
R-factor	0.1951
Rwork	0.193
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.678
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.158	32.158	1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.221	0.067	4.145
Rmeas	0.237	0.073	4.580
Total number of observations	108259
Number of reflections	9511	200	956
<I/σ(I)>	7.24	21.64	0.44
Completeness [%]	99.1	100	91.4
Redundancy	7.497	6.175	5.613
CC(1/2)	0.995	0.997	0.154

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295.15	0.2 M sodium iodide, 0.1 M Bis Tris propane, pH 8.5, 20% (w/v) PEG 3.35k