6UC5

Fab397 in complex with NPNA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	61.268, 77.492, 87.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.660 - 1.750
R-factor	0.193
Rwork	0.190
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rpim	0.031	0.339
Number of reflections	41579	1315
<I/σ(I)>	24.5	1.2
Completeness [%]	95.3
Redundancy	10.6
CC(1/2)	0.969	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M HEPES, pH 6.62, 22% w/v PEG4000