7U3J

GID4 in complex with compound 88

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	P 21 21 21
Unit cell lengths	40.350, 58.530, 69.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.662 - 1.642
R-factor	0.1841
Rwork	0.183
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ccr
Data reduction software	XDS (20210322)
Data scaling software	XSCALE (20210322)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.662	44.662	1.740
High resolution limit [Å]	1.640	4.880	1.640
Rmerge	0.079	0.041	0.939
Rmeas	0.085	0.044	1.023
Total number of observations	149139
Number of reflections	20341	869	3014
<I/σ(I)>	15.58	37.61	1.98
Completeness [%]	98.7	99.8	92
Redundancy	7.332	6.487	6.171
CC(1/2)	0.999	0.998	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG6000, 0.1 M HEPES