9DWC

Crystal structure of FABLE, PEG 600 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	62.469, 42.760, 96.624
Unit cell angles	90.00, 97.87, 90.00

Refinement procedure

Resolution	40.650 - 1.460
R-factor	0.2069
Rwork	0.206
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.883
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]	47.860	1.480
High resolution limit [Å]	1.460	1.460
Rmerge	0.071	1.591
Rmeas	0.085	1.904
Rpim	0.046	1.034
Total number of observations	283829	13347
Number of reflections	86345	4175
<I/σ(I)>	7.9	0.7
Completeness [%]	97.8
Redundancy	3.3	3.2
CC(1/2)	0.998	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	292	100 mM CHES pH 9.5 , 30% (v/v) PEG 600