13UY

Orf9b homodimer in complex with Enamine Z992449454

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	35.774, 65.317, 73.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.690 - 1.530
R-factor	0.217
Rwork	0.215
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.258
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]	48.790	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.055	1.442
Rmeas	0.060	1.609
Rpim	0.024	0.694
Total number of observations	158292	5420
Number of reflections	26305	1084
<I/σ(I)>	13.7	0.7
Completeness [%]	98.5
Redundancy	6	5
CC(1/2)	0.999	0.361

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