5OJP

YCF48 bound to D1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.21482
Spacegroup name	P 1
Unit cell lengths	54.441, 60.286, 75.398
Unit cell angles	68.43, 74.83, 85.43

Refinement procedure

Resolution	53.772 - 1.860
R-factor	0.1921
Rwork	0.190
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xbg
RMSD bond length	0.014
RMSD bond angle	1.371
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.060	1.910
High resolution limit [Å]	1.860	1.860
Rmerge	0.056	0.810
Number of reflections	68907	4141
<I/σ(I)>	8.2	1.4
Completeness [%]	95.3	77.5
Redundancy	3.3	2.8
CC(1/2)	0.997	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	XX