7U3F

GID4 in complex with compound 4

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	2020-03-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	40.340, 57.280, 72.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.952 - 2.300
R-factor	0.2349
Rwork	0.233
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ccr
Data reduction software	XDS (20190806)
Data scaling software	XSCALE (20190806)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.952	44.952	2.430
High resolution limit [Å]	2.300	6.810	2.300
Rmerge	0.081	0.042	0.757
Rmeas	0.089	0.047	0.887
Total number of observations	45787
Number of reflections	7797	346	1119
<I/σ(I)>	13.54	33.46	1.52
Completeness [%]	98.2	99.4	89.5
Redundancy	5.872	5.408	3.601
CC(1/2)	0.998	0.998	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	15% PEG5000 MME, 0.1 M Bis-tris