5LLD

Flavodiiron core of Escherichia coli flavorubredoxin in the reduced form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 6 2 2
Unit cell lengths	151.700, 151.700, 96.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.292 - 2.651
R-factor	0.1899
Rwork	0.185
R-free	0.24600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4d02
RMSD bond length	0.015
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.340	2.740
High resolution limit [Å]	2.650	2.650
Number of reflections	17773
<I/σ(I)>	5.9	1.5
Completeness [%]	91.0	90.3
Redundancy	6.3	4
CC(1/2)		0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	304	1.0UL OF PROTEIN AT15 MG/ML WITH 0.8UL OF CRYSTALLIZATION SOLUTION (0.2M NA-CACODYLATE PH 6.5, 0.2 M MGACETATE, 20% PEG8000) and 0.2UL OF 0.1M HEXAMINE COBALT (III).