1XHL

Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-05-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	109.589, 109.589, 162.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.170 - 2.400
R-factor	0.191
Rwork	0.191
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The search model was a model generated by the SWISS-MODEL server based on PDB entries 1SPX and 1RWB.
RMSD bond length	0.007
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.084	0.323
Number of reflections	39301
<I/σ(I)>	12.3	2
Completeness [%]	99.2	96.3
Redundancy	5.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	65% MPD, 0.1M Mes, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K