3VD8

Crystal structure of human AIM2 PYD domain with MBP fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	61.599, 91.934, 100.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.887 - 2.068
R-factor	0.1841
Rwork	0.182
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ob4
RMSD bond length	0.003
RMSD bond angle	0.694
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_947))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.068	2.068
Rmerge		0.646
Number of reflections	35164
<I/σ(I)>	12.36	2.24
Completeness [%]	99.0	97
Redundancy	7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	20% PEG3350, 0.1M Potassium Acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K