8VSF

UIC-13-BPE 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	2022-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.619920
Spacegroup name	P 43 21 2
Unit cell lengths	60.163, 60.163, 8.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.690 - 1.110
R-factor	0.2413
Rwork	0.240
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.906
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]	16.690	1.150
High resolution limit [Å]	1.110	1.110
Number of reflections	7064	679
<I/σ(I)>	16.54
Completeness [%]	99.3
Redundancy	24.4
CC(1/2)	1.000	0.736

Crystallization Conditions

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