3O1C

High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) C38A mutant from rabbit complexed with Adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	39.965, 39.965, 141.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.260 - 1.080
R-factor	0.13335
Rwork	0.132
R-free	0.16285
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3LLJ
RMSD bond length	0.028
RMSD bond angle	2.371
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP (10.2.31)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.260	1.140
High resolution limit [Å]	1.080	1.080
Rmerge	0.066	0.556
Number of reflections	48586
<I/σ(I)>	26.3	5
Completeness [%]	96.7	94.2
Redundancy	19.9	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	20% PEG 8000, 0.1M sodium acetate, 0.1M sodium cacodylate pH 6.5, protein concentration 10 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 281K