3HMZ

CRYSTAL STRUCTURE OF A FMN-BINDING DOMAIN OF FLAVIN REDUCTASES-LIKE ENZYME (SBAL_0626) FROM SHEWANELLA BALTICA OS155 AT 1.50 A RESOLUTION

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-17
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	74.627, 74.627, 74.107
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.288 - 1.500
R-factor	0.13
Rwork	0.129
R-free	0.15000
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.758
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]	26.288	26.288	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.050	0.023	0.853
Number of reflections	38635	7407	6939
<I/σ(I)>	15.15	45.9	1.7
Completeness [%]	99.8	99.6	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.2000M Sodium ThioCyanate, 20.0000% PEG-3350, No Buffer pH 6.9, Additive: 0.0009M flavin-adenine dinucleotide (FAD), VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K