9DWB

Crystal structure of FABLE, PEG 400 condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11585
Spacegroup name	P 1 21 1
Unit cell lengths	54.218, 43.177, 60.864
Unit cell angles	90.00, 114.27, 90.00

Refinement procedure

Resolution	47.980 - 1.680
R-factor	0.1994
Rwork	0.198
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.949
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XDS (Jun 30, 2023)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.980	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.066	1.452
Rmeas	0.078	1.739
Rpim	0.042	0.945
Total number of observations	95881	4591
Number of reflections	29306	1438
<I/σ(I)>	8.7	0.6
Completeness [%]	99.3
Redundancy	3.3	3.2
CC(1/2)	0.998	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	292	200 mM sodium chloride, 100 mM CHES pH 9.5, 50% (v/v) PEG 400