3L5A

Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	69.941, 75.342, 80.736
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.964 - 1.650
Rwork	0.181
R-free	0.19150
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.252
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.650	4.070	1.650
Rmerge	0.097	0.077	0.405
Number of reflections	51898
<I/σ(I)>	14.5
Completeness [%]	99.7	99.2	96.5
Redundancy	14.3	13.9	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% PEG200, 0.1M MES, 5mM I3C, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K