9N7G

Crystal structure of S1007A in complex with FN3

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	CCD
Collection date	2023-07-19
Detector	MAR CCD 300 mm
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	45.824, 60.088, 121.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.670 - 2.330
R-factor	0.27592
Rwork	0.271
R-free	0.36731
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	2.690
High resolution limit [Å]	2.330	2.330
Rmerge	0.051	0.054
Number of reflections	8793	493
<I/σ(I)>	7.7
Completeness [%]	100.0
Redundancy	7.7
CC(1/2)	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	0.1M tris chloride BCC 2M ammonium sulfate BCC