8I7P

Crystal structure of Ricin A chain bound with N2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	67.803, 67.803, 141.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.930 - 1.600
R-factor	0.21563
Rwork	0.215
R-free	0.23235
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.142
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.930	1.690
High resolution limit [Å]	1.600	1.600
Rmeas	0.042	0.801
Rpim	0.012	0.214
Total number of observations	571567	84549
Number of reflections	43942	6237
<I/σ(I)>	35.6	4.1
Completeness [%]	99.2
Redundancy	13	13.6
CC(1/2)	1.000	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	296	PEG2000, Lithium sulfate, Sodium acetate