13TY

Orf9b homodimer in complex with fragment ZINC000000337835

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	2023-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.116
Spacegroup name	P 21 21 21
Unit cell lengths	35.766, 64.828, 73.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.910 - 1.640
R-factor	0.2147
Rwork	0.212
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.910	1.660
High resolution limit [Å]	1.640	1.640
Rmerge	0.059	2.431
Rmeas	0.064	2.650
Rpim	0.026	1.037
Total number of observations	137480	6196
Number of reflections	21809	1013
<I/σ(I)>	13.3	0.6
Completeness [%]	99.6
Redundancy	6.3	6.1
CC(1/2)	0.999	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	10% PEG3350, 10% PEG1000, 10% MPD, 0.15M Ethylene Glycol, 0.1M MES pH 6.5, 0.1M Imidazole pH 6.5