3O1X

High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) C84A mutant from rabbit complexed with adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-19
Detector	MAR CCD 165 mm
Wavelength(s)	1.0379
Spacegroup name	P 43 21 2
Unit cell lengths	39.765, 39.765, 141.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.050 - 1.080
R-factor	0.14296
Rwork	0.141
R-free	0.17139
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3LLJ
RMSD bond length	0.025
RMSD bond angle	2.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (10.2.31)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.110	0.628
Number of reflections	49845
<I/σ(I)>	16.15	2.88
Completeness [%]	99.6	99.7
Redundancy	10.7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	30% PEG 8000, 0.1M sodium cacodylate pH 6.5, O.1M sodium acetate, protein concentration 10 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 281K