8VW7

UIC-11-BPE-AgNO3 silver binding with UIC-11-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 1
Unit cell lengths	9.025, 30.416, 30.437
Unit cell angles	110.65, 90.13, 90.07

Refinement procedure

Resolution	17.310 - 1.300
R-factor	0.2104
Rwork	0.207
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.008
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]	17.310	1.347
High resolution limit [Å]	1.300	1.300
Number of reflections	6790	619
<I/σ(I)>	11.98
Completeness [%]	91.1
Redundancy	2.6
CC(1/2)	0.998	0.792

Crystallization Conditions

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