8VW8

UIC-13-BPE-AgNO3 silver binding with UIC-13-BPE

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	2023-03-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.619900
Spacegroup name	P 43 21 2
Unit cell lengths	59.634, 59.634, 9.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.860 - 1.200
R-factor	0.1932
Rwork	0.190
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	1.789
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]	18.860	1.243
High resolution limit [Å]	1.200	1.200
Number of reflections	5566	542
<I/σ(I)>	11.74
Completeness [%]	99.5
Redundancy	24.3
CC(1/2)	0.999	0.533

Crystallization Conditions

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