8VPJ

UIC-11-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	2022-03-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6199
Spacegroup name	C 1 2 1
Unit cell lengths	49.132, 36.182, 8.924
Unit cell angles	90.00, 98.36, 90.00

Refinement procedure

Resolution	24.300 - 1.500
R-factor	0.22
Rwork	0.217
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.786
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]	24.300	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	2458	234
<I/σ(I)>	16.44
Completeness [%]	97.9
Redundancy	6.9
CC(1/2)	1.000	0.925

Crystallization Conditions

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