8V56

UIC-1 mutant - UIC-1-B5W

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	2023-03-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6199
Spacegroup name	P 2 21 21
Unit cell lengths	16.543, 20.422, 56.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.560 - 0.980
R-factor	0.1322
Rwork	0.131
R-free	0.14730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.737
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]	16.560	1.015
High resolution limit [Å]	0.980	0.980
Rmerge	0.083	0.863
Rmeas	0.087	0.956
Rpim	0.025	0.401
Number of reflections	11436	1015
<I/σ(I)>	17.5	1.43
Completeness [%]	98.5
Redundancy	11.4
CC(1/2)	1.000	0.598

Crystallization Conditions

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