5WAA

Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) C84R mutant

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	CCD
Collection date	2014-10-16
Detector	NOIR-1
Wavelength(s)	1.00135
Spacegroup name	C 1 2 1
Unit cell lengths	77.698, 46.323, 63.906
Unit cell angles	90.00, 94.18, 90.00

Refinement procedure

Resolution	23.776 - 1.098
R-factor	0.1337
Rwork	0.133
R-free	0.14880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.005
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.120
High resolution limit [Å]	1.100	2.990	1.100
Rmerge	0.080	0.052	0.220
Rmeas	0.094	0.062	0.265
Rpim	0.049	0.034	0.146
Total number of observations	310341
Number of reflections	88559		3817
<I/σ(I)>	12.9
Completeness [%]	95.9	71.8	83.3
Redundancy	3.5	3.2	2.9
CC(1/2)		0.991	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM HEPES, 35% PEG 8000