7U3G

GID4 in complex with compound 67

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	2021-03-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	38.390, 40.260, 51.700
Unit cell angles	90.00, 107.61, 90.00

Refinement procedure

Resolution	49.278 - 2.244
R-factor	0.211
Rwork	0.210
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ccr
Data reduction software	XDS (20210205)
Data scaling software	XSCALE (20210205)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.278	49.278	2.380
High resolution limit [Å]	2.240	6.670	2.240
Rmerge	0.047	0.029	0.433
Rmeas	0.056	0.034	0.517
Total number of observations	24387
Number of reflections	7218	287	1124
<I/σ(I)>	16.24	36.03	3.42
Completeness [%]	98.3	96.3	97.4
Redundancy	3.379	3.132	3.345
CC(1/2)	0.998	0.998	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25% PEG3350, 0.1 M Bis-tris, 0.2 M ammonium acetate