8V59

UIC-1 mutant - UIC-1-B5I

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	2022-10-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.61992
Spacegroup name	C 1 2 1
Unit cell lengths	54.012, 10.316, 32.278
Unit cell angles	90.00, 100.50, 90.00

Refinement procedure

Resolution	15.870 - 1.120
R-factor	0.1333
Rwork	0.131
R-free	0.15350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.708
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]	15.870	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.168	0.344
Rmeas	0.187	0.381
Rpim	0.080	0.162
Number of reflections	6964	635
<I/σ(I)>	13.15	6.03
Completeness [%]	97.4	91.21
Redundancy	5.8	5.5
CC(1/2)	0.992	0.969

Crystallization Conditions

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