5OJI

Crystal structure of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976261
Spacegroup name	P 42 21 2
Unit cell lengths	94.750, 94.750, 132.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.280 - 1.600
R-factor	0.2031
Rwork	0.202
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o4r
RMSD bond length	0.006
RMSD bond angle	1.206
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.280	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.181	0.963
Rmeas	0.185	0.998
Number of reflections	79504
<I/σ(I)>	16.8
Completeness [%]	99.3	89.2
Redundancy	25	14
CC(1/2)	0.999	0.272

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	10% (w/v) PEG 8000 200 mM NaCl 100 mM K/Na-phosphate, pH 6.2