9BZW

UIC-1 peptide soaked in p-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	2022-07-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	13.972, 13.502, 28.764
Unit cell angles	90.00, 100.80, 90.00

Refinement procedure

Resolution	12.180 - 1.330
R-factor	0.1052
Rwork	0.101
R-free	0.13430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.903
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]	12.180	1.380
High resolution limit [Å]	1.330	1.330
Number of reflections	2291	126
<I/σ(I)>	28.65
Completeness [%]	89.8
Redundancy	5.8
CC(1/2)	0.997	0.939

Crystallization Conditions

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