13UA

Orf9b homodimer in complex with fragment ZINC000002508153

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	35.751, 64.816, 73.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 1.470
R-factor	0.2121
Rwork	0.210
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.176
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]	48.630	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.037	1.541
Rmeas	0.040	1.822
Rpim	0.016	0.949
Total number of observations	171659	3703
Number of reflections	29041	1121
<I/σ(I)>	19.5	0.7
Completeness [%]	98.1
Redundancy	5.9	3.3
CC(1/2)	0.999	0.362

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