6N3V

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-09-24
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	77.922, 46.306, 63.960
Unit cell angles	90.00, 94.96, 90.00

Refinement procedure

Resolution	39.768 - 1.450
R-factor	0.1577
Rwork	0.157
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.005
RMSD bond angle	0.840
Data reduction software	XDS
Data scaling software	XDS (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.815	38.815	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge		0.022	0.374
Rmeas	0.058	0.026	0.445
Rpim	0.030	0.013	0.237
Total number of observations	145241	4615	19748
Number of reflections	40242	1311	5836
<I/σ(I)>	17	46.5	3.2
Completeness [%]	99.7	98.4	99.8
Redundancy	3.6	3.5	3.4

Crystallization Conditions

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