6YIO

CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99982
Spacegroup name	P 1 21 1
Unit cell lengths	51.381, 44.321, 140.085
Unit cell angles	90.00, 92.41, 90.00

Refinement procedure

Resolution	69.980 - 1.830
R-factor	0.2039
Rwork	0.203
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b5i
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.980	1.920
High resolution limit [Å]	1.830	1.830
Rmerge	0.090	0.740
Number of reflections	56064	7407
<I/σ(I)>	5.7
Completeness [%]	99.9
Redundancy	3.39
CC(1/2)	0.999	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	25% v/v PEG Smear Medium (12.5% w/v PEG 3350, 12.5% w/v PEG 4000, 12.5% w/v PEG 2000, 12.5% w/v PEG 5000 MME) 0.1M SODIUM ACETATE, PH 4.5