8VP7

UIC-13-BIF-A4(Dab) 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	2023-04-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6199
Spacegroup name	P 1 21 1
Unit cell lengths	23.940, 19.311, 48.032
Unit cell angles	90.00, 98.76, 90.00

Refinement procedure

Resolution	22.590 - 1.480
R-factor	0.1543
Rwork	0.151
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.560
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]	22.590	1.533
High resolution limit [Å]	1.480	1.480
Number of reflections	7403	727
<I/σ(I)>	8.98
Completeness [%]	98.6
Redundancy	6.5
CC(1/2)	0.997	0.674

Crystallization Conditions

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