9BZY

UIC-1 peptide bound with m-xylene

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	2022-07-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.729405
Spacegroup name	P 1 21 1
Unit cell lengths	13.914, 13.547, 55.637
Unit cell angles	90.00, 95.04, 90.00

Refinement procedure

Resolution	13.860 - 1.020
R-factor	0.1001
Rwork	0.098
R-free	0.11830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.978
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]	13.860	1.056
High resolution limit [Å]	1.020	1.020
Number of reflections	10082	672
<I/σ(I)>	26.38
Completeness [%]	92.5
Redundancy	6.6
CC(1/2)	0.999	0.996

Crystallization Conditions

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