3GE5

Crystal structure of a putative nad(p)h:fmn oxidoreductase (pg0310) from porphyromonas gingivalis w83 at 1.70 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	2008-11-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97870,0.97833
Spacegroup name	P 43 21 2
Unit cell lengths	112.060, 112.060, 68.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.161 - 1.700
R-factor	0.146
Rwork	0.145
R-free	0.17200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.428
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]	29.161	29.161	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.066	0.022	0.735
Number of reflections	48232	9139	8862
<I/σ(I)>	14.75	47.7	1.8
Completeness [%]	99.5	99.4	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	2.0000M (NH4)2SO4, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K