8W5A

Crystal structure of the RING domain of human XIAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-09-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	35.696, 48.742, 39.639
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	39.320 - 1.650
R-factor	0.2184
Rwork	0.217
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.320	39.320
High resolution limit [Å]	1.650	1.650
Rmerge	0.323	0.323
Number of reflections	16111	16111
<I/σ(I)>	0.217
Completeness [%]	99.0
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 mM TCEP, 30-32% PEG 3350, 100 mM Tris-HCl, pH 7.4