3QGZ

Re-investigated high resolution crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from rabbit complexed with adenosine

Replaces:  3LLJ

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	2009-11-21
Detector	MAR CCD 165 mm
Wavelength(s)	1.038
Spacegroup name	P 43 21 2
Unit cell lengths	39.747, 39.747, 141.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.270 - 1.100
R-factor	0.14377
Rwork	0.142
R-free	0.16772
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	1rzy
RMSD bond length	0.027
RMSD bond angle	2.489
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.087	0.676
Number of reflections	47034
<I/σ(I)>	18.7	4
Completeness [%]	99.2	97.5
Redundancy	17.5	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	25% PEG 8000, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K