7BV7

INTS3 complexed with INTS6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	60.570, 126.030, 84.440
Unit cell angles	90.00, 102.12, 90.00

Refinement procedure

Resolution	43.950 - 2.400
R-factor	0.2069
Rwork	0.205
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.450	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.750
Number of reflections	43480	4704
<I/σ(I)>	4.9
Completeness [%]	90.0
Redundancy	2.7
CC(1/2)	0.995	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	1.7 M Ammonium citrate pH 7.0 4% pentaerythritol ethoxylate