13TW

Orf9b homodimer in complex with fragment ZINC000000002055

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	35.775, 65.013, 73.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 1.490
R-factor	0.2119
Rwork	0.210
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.318
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]	48.720	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.042	2.060
Rmeas	0.045	2.248
Rpim	0.018	0.887
Total number of observations	181432	8060
Number of reflections	28393	1309
<I/σ(I)>	18.5	0.8
Completeness [%]	99.4
Redundancy	6.4	6.2
CC(1/2)	0.999	0.367

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