3D1C

Crystal structure of Flavin-containing Putative Monooxygenase (NP_373108.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.40 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	2008-04-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97920,0.91837
Spacegroup name	P 43 21 2
Unit cell lengths	109.247, 109.247, 87.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.892 - 2.400
R-factor	0.183
Rwork	0.181
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.509
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.892	28.890	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.090	0.038	0.682
Total number of observations		1076	7338
Number of reflections	21169
<I/σ(I)>	7.1	16.6	1.1
Completeness [%]	99.9	95.1	100
Redundancy	4.8	3.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.6000M (NH4)2SO4, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K