6AC5

Crystal structure of RIPK1 death domain GlcNAcylated by EPEC effector NleB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	93
Detector technology	CCD
Collection date	2014-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97928
Spacegroup name	P 43 21 2
Unit cell lengths	55.750, 55.750, 59.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.126 - 1.451
R-factor	0.1574
Rwork	0.156
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aci
RMSD bond length	0.010
RMSD bond angle	1.057
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.800	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.077	0.265
Number of reflections	17069	2421
<I/σ(I)>	21.4	7.9
Completeness [%]	99.9	100
Redundancy	13.2	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	2.2 M ammonium sulfate, 100 mM Bis-Tris pH 5.5