6N3Y

Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine

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	2018-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	78.161, 46.327, 63.896
Unit cell angles	90.00, 94.32, 90.00

Refinement procedure

Resolution	34.419 - 1.800
R-factor	0.2069
Rwork	0.205
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.714	63.714	1.583
High resolution limit [Å]	1.578	7.320	1.578
Rmerge	0.059	0.030	0.248
Rmeas	0.072	0.037	0.331
Rpim	0.040	0.021	0.217
Total number of observations	82943
Number of reflections	27713	340	146
<I/σ(I)>	11.3
Completeness [%]	87.8	98	44.8
Redundancy	3	3	1.9
CC(1/2)	0.995	0.998	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	293	100 mM MES, 35% PEG 8000