5KM9

Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	37.753, 74.771, 77.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.931 - 1.450
R-factor	0.1601
Rwork	0.160
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4inc
RMSD bond length	0.006
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.931	53.931	1.455
High resolution limit [Å]	1.450	6.726	1.450
Rmerge	0.043	0.021	0.360
Rmeas	0.047
Rpim	0.019
Total number of observations	250634
Number of reflections	39791
<I/σ(I)>	22
Completeness [%]	99.8	100	100
Redundancy	6.3	5.2	6.4
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES, 38% PEG 8000