8VXS

UIC-15-BPE extension of UIC-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.68879
Spacegroup name	C 1 2 1
Unit cell lengths	60.240, 14.070, 36.500
Unit cell angles	90.00, 120.86, 90.00

Refinement procedure

Resolution	28.310 - 1.200
R-factor	0.1368
Rwork	0.132
R-free	0.17580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.884
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]	28.310	1.243
High resolution limit [Å]	1.200	1.200
Number of reflections	7727	727
<I/σ(I)>	9.66
Completeness [%]	90.0
Redundancy	11.8
CC(1/2)	0.997	0.890

Crystallization Conditions

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