3KY8

Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 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	2009-07-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97917,0.97870
Spacegroup name	P 43 21 2
Unit cell lengths	72.679, 72.679, 156.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.029 - 2.120
R-factor	0.184
Rwork	0.181
R-free	0.23100
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.590
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]	30.029	30.029	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.096	0.029	0.948
Number of reflections	24676	4615	4765
<I/σ(I)>	11.7	37.9	1.5
Completeness [%]	99.6	99.4	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.5000M (NH4)2SO4, 1.0000M Li2SO4, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K