8VPT

UIC-14-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)	0.6199
Spacegroup name	P 1
Unit cell lengths	14.050, 16.560, 28.675
Unit cell angles	97.99, 95.02, 90.10

Refinement procedure

Resolution	16.400 - 0.940
R-factor	0.1673
Rwork	0.165
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.723
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]	16.400	0.974
High resolution limit [Å]	0.940	0.940
Number of reflections	13900	1466
<I/σ(I)>	9.63
Completeness [%]	83.8
Redundancy	3.5
CC(1/2)	0.992	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	acetonitrile water