9BZX

UIC-1 peptide bound with o-xylene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	13.923, 13.607, 55.556
Unit cell angles	90.00, 96.38, 90.00

Refinement procedure

Resolution	27.610 - 1.340
R-factor	0.1774
Rwork	0.172
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.850
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]	27.610	1.388
High resolution limit [Å]	1.340	1.341
Number of reflections	4485	529
<I/σ(I)>	3.89
Completeness [%]	91.2
Redundancy	6
CC(1/2)	0.183	0.183

Crystallization Conditions

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