8VPD

UIC-11-BIF 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	2022-09-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.688839
Spacegroup name	C 1 2 1
Unit cell lengths	38.485, 8.794, 31.786
Unit cell angles	90.00, 113.90, 90.00

Refinement procedure

Resolution	14.530 - 1.200
R-factor	0.21
Rwork	0.208
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.815
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]	14.530	1.243
High resolution limit [Å]	1.200	1.200
Number of reflections	3163	276
<I/σ(I)>	4.26
Completeness [%]	95.6
Redundancy	5.7
CC(1/2)	0.984	0.782

Crystallization Conditions

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