4EQH

Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Trp-AMS

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)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	79.000, 46.427, 63.884
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	24.348 - 1.668
R-factor	0.145
Rwork	0.143
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rhn
RMSD bond length	0.009
RMSD bond angle	1.250
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.730
High resolution limit [Å]	1.668	3.590	1.668
Rmerge	0.053	0.021	0.489
Number of reflections	26559
<I/σ(I)>	9.7
Completeness [%]	98.4	99.7	96.7
Redundancy	7.5	7.4	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	25-28% PEG3350, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K