13UX

Orf9b homodimer in complex with fragment ZINC000034977567

This is a non-PDB format compatible entry.

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	35.820, 64.940, 73.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.810 - 1.590
R-factor	0.2059
Rwork	0.204
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.251
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]	48.590	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.040	1.367
Rmeas	0.044	1.594
Rpim	0.018	0.800
Total number of observations	113261	3463
Number of reflections	18949	960
<I/σ(I)>	20.2	0.8
Completeness [%]	99.8
Redundancy	6	3.6
CC(1/2)	1.000	0.286

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