8VOG

UIC-12-BIF extension of UIC-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6199
Spacegroup name	P 1
Unit cell lengths	10.240, 15.760, 31.197
Unit cell angles	95.87, 97.00, 90.09

Refinement procedure

Resolution	15.680 - 0.940
R-factor	0.0799
Rwork	0.079
R-free	0.08980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.801
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.680	0.974
High resolution limit [Å]	0.940	0.940
Number of reflections	11219	1138
<I/σ(I)>	27.93
Completeness [%]	89.6
Redundancy	3.7
CC(1/2)	0.958	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	Acetonitrile, water