3C24

Crystal structure of a putative oxidoreductase (YP_511008.1) from Jannaschia sp. CCS1 at 1.62 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97966
Spacegroup name	P 21 21 21
Unit cell lengths	47.080, 80.620, 142.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.456 - 1.620
R-factor	0.163
Rwork	0.161
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.695
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.456	28.456	1.680
High resolution limit [Å]	1.620	3.480	1.620
Rmerge	0.035	0.021	0.242
Number of reflections	64518	12983	6835
<I/σ(I)>	13.2	30.1	2.5
Completeness [%]	86.6	96.1	49.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	NANODROP, 0.16M (NH4)2SO4, 20.0% Glycerol, 20.0% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K