7U3I

GID4 in complex with compound 16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	38.651, 40.141, 51.614
Unit cell angles	89.99, 107.90, 89.97

Refinement procedure

Resolution	49.116 - 1.991
R-factor	0.1979
Rwork	0.196
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ccr
Data reduction software	XDS (20200417)
Data scaling software	XSCALE (20200417)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.116	49.116	2.110
High resolution limit [Å]	1.990	5.920	1.990
Rmerge	0.076	0.032	0.948
Rmeas	0.091	0.038	1.138
Number of reflections	18720	424	1586
<I/σ(I)>	9.81	29.98	1.32
Completeness [%]	98.3	98.4	94.8
Redundancy	3.318	3.269	3.133
CC(1/2)	0.997	0.998	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	16% PEG3350, 0.1 M Bis-tris, 0.2 M ammonium formate