5ED3

crystal structure of human Hint1 complexing with AP5A

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	78.454, 46.306, 64.102
Unit cell angles	90.00, 94.92, 90.00

Refinement procedure

Resolution	24.401 - 1.309
R-factor	0.1468
Rwork	0.146
R-free	0.15530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eqe
RMSD bond length	0.008
RMSD bond angle	1.272
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.360
High resolution limit [Å]	1.309	2.820	1.310
Rmerge	0.049	0.030	0.277
Total number of observations	402430
Number of reflections	55250
<I/σ(I)>	13.8
Completeness [%]	99.9	99.8	98.9
Redundancy	7.3	7.5	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	PEG3350, HEPES