2FZV

Crystal Structure of an apo form of a Flavin-binding Protein from Shigella flexneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-27
Detector	MARRESEARCH
Wavelength(s)	0.94644
Spacegroup name	P 43 21 2
Unit cell lengths	117.821, 117.821, 154.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 1.700
R-factor	0.20116
Rwork	0.199
R-free	0.24579
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.287
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.810	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.029	0.240
Number of reflections	116180
<I/σ(I)>	38.33	5.68
Completeness [%]	97.6	94.7
Redundancy	5.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	0.2 M Calcium chloride dihydrate, 20% w/v Polyethylene glycol 3350, 0.5 M NaCl, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	0.2 M Calcium chloride dihydrate, 20% w/v Polyethylene glycol 3350, 0.5 M NaCl, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K