1YO6

Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	74.870, 86.320, 242.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 2.600
R-factor	0.2181
Rwork	0.218
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The starting model was created by the SWISS-MODEL server based on PDB entry 1SNY using the C. elegans target sequence (C55A6.5)
RMSD bond length	0.007
RMSD bond angle	1.300
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	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	0.205
Number of reflections	46212
<I/σ(I)>	19.5	4.2
Completeness [%]	94.3	86.2
Redundancy	4.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	20% PEG2000 MME, 0.1M Tris, 0.1% beta-OG, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K