3HX8

Crystal structure of putative ketosteroid isomerase (NP_103587.1) from Mesorhizobium loti at 1.45 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929,0.97915
Spacegroup name	P 1
Unit cell lengths	48.336, 55.111, 56.862
Unit cell angles	69.02, 76.89, 64.83

Refinement procedure

Resolution	28.028 - 1.450
R-factor	0.149
Rwork	0.147
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.028	28.028	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.041	0.026	0.452
Number of reflections	83844	17123	14948
<I/σ(I)>	9.05	25.5	1.3
Completeness [%]	94.5	96.6	87.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	30.0000% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K