6J5Z

Crystal structure of human HINT1 mutant complexing with AP3A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	45.421, 45.440, 63.922
Unit cell angles	86.57, 86.48, 61.35

Refinement procedure

Resolution	23.867 - 1.300
R-factor	0.1553
Rwork	0.154
R-free	0.17000
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]	50.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.405
Number of reflections	94352	4285
<I/σ(I)>	25.4
Completeness [%]	95.4
Redundancy	3.9

Crystallization Conditions

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