3GBH

CRYSTAL STRUCTURE OF A PUTATIVE NAD(P)H:FMN OXIDOREDUCTASE (SE1966) FROM STAPHYLOCOCCUS EPIDERMIDIS ATCC 12228 AT 2.00 A RESOLUTION

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97968
Spacegroup name	P 21 21 21
Unit cell lengths	61.850, 86.150, 160.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.514 - 2.000
R-factor	0.148
Rwork	0.146
R-free	0.18500
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.514	29.514	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.117	0.057	0.385
Number of reflections	58789	11144	10774
<I/σ(I)>		19.4	3.5
Completeness [%]	99.4	98.4	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	NANODROP, 30.0% PEG 200, 5.0% PEG 3000, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K