6J53

Crystal structure of human HINT1 complexing with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	78.586, 46.501, 63.916
Unit cell angles	90.00, 94.39, 90.00

Refinement procedure

Resolution	23.843 - 1.520
R-factor	0.152
Rwork	0.151
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eqe
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.036	0.108
Number of reflections	35501	1255
<I/σ(I)>	40.5
Completeness [%]	99.9	99.9
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	HEPES pH 7.5, PEG 3350