13TM

Orf9b homodimer in complex with fragment ZINC000020283605

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	35.878, 64.871, 73.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 1.710
R-factor	0.2165
Rwork	0.213
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.333
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]	48.700	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.054	0.897
Rmeas	0.064	1.062
Rpim	0.033	0.558
Total number of observations	60212	3215
Number of reflections	18854	984
<I/σ(I)>	10.5	1.2
Completeness [%]	98.6
Redundancy	3.2	3.3
CC(1/2)	0.998	0.560

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