5KM5

Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product 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	2014-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	38.129, 76.045, 77.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.023 - 2.100
R-factor	0.1739
Rwork	0.171
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4inc
RMSD bond length	0.008
RMSD bond angle	1.328
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.045	76.045	2.107
High resolution limit [Å]	2.100	9.741	2.100
Rmerge	0.074	0.035	0.287
Total number of observations		888	858
Number of reflections	13736
<I/σ(I)>	15.9
Completeness [%]	99.7	100	100
Redundancy	6	5.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES, 45% PEG 8000