1XKQ

Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-3
Synchrotron site	SSRL
Beamline	BL11-3
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9746
Spacegroup name	P 61
Unit cell lengths	119.690, 119.690, 193.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.010 - 2.100
R-factor	0.216
Rwork	0.216
R-free	0.24500
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	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.178
Number of reflections	87709
<I/σ(I)>	20.9	6.5
Completeness [%]	96.1	95
Redundancy	5.5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	291	20% PEG 3350, 0.2M NH4F, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K