8VPC

UIC-13-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	2023-02-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.729250
Spacegroup name	P 1
Unit cell lengths	22.960, 23.781, 23.831
Unit cell angles	103.87, 106.56, 106.46

Refinement procedure

Resolution	21.380 - 0.940
R-factor	0.2063
Rwork	0.205
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.692
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]	21.380	0.974
High resolution limit [Å]	0.940	0.940
Number of reflections	24348	2504
<I/σ(I)>	11.15
Completeness [%]	86.1
Redundancy	3.5
CC(1/2)	0.996	0.932

Crystallization Conditions

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