9DWA

Crystal structure of FABLE, MPD condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	49.379, 43.933, 65.268
Unit cell angles	90.00, 97.84, 90.00

Refinement procedure

Resolution	48.920 - 1.850
R-factor	0.1937
Rwork	0.191
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.973
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]	48.920	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.072	1.502
Rmeas	0.086	1.777
Rpim	0.046	0.937
Total number of observations	80456	4998
Number of reflections	23431	1443
<I/σ(I)>	9.7	0.7
Completeness [%]	98.1
Redundancy	3.4	3.5
CC(1/2)	0.998	0.374

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	100 mM Tris pH 8.0, 20% (v/v) MPD