6N3W

Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[3-Phenyl-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	77.972, 46.210, 63.844
Unit cell angles	90.00, 94.74, 90.00

Refinement procedure

Resolution	63.625 - 1.750
R-factor	0.155
Rwork	0.153
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.625	39.718	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.034	0.335
Rmeas	0.094	0.040	0.399
Rpim	0.049	0.021	0.214
Number of reflections	22818	767	3330
<I/σ(I)>	13.8	16.2	2.1
Completeness [%]	99.2	98.8	99.8
Redundancy	3.6	3.5	3.3

Crystallization Conditions

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