4IC2

Crystal structure of the XIAP RING domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2007-09-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	35.653, 48.672, 39.860
Unit cell angles	90.00, 97.24, 90.00

Refinement procedure

Resolution	18.317 - 2.200
R-factor	0.1916
Rwork	0.189
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eb5
RMSD bond length	0.009
RMSD bond angle	1.191
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.420	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.066	0.213
Number of reflections	6536
<I/σ(I)>	17.3	6.1
Completeness [%]	94.5	85
Redundancy	6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	100mM Tris-HCl, 20% MME PEG2000, 10mM NiCl2, 1mM TCEP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K