1LKO

Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(II) form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2000-09-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	48.518, 79.952, 100.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.750 - 1.630
R-factor	0.183
Rwork	0.183
R-free	0.20480 *
Structure solution method	Difference Fourier analysis
RMSD bond length	0.004
RMSD bond angle	19.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.077	0.183
Total number of observations	273708 *
Number of reflections	22434 *
<I/σ(I)>	48.8	8.1
Completeness [%]	90.6 *	48.1
Redundancy	12	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	deMare, F., (1996) Nature Struct. Biol., 3, 539. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	TRIZMA hydrochloride	0.1 (M)
2	1	reservoir	PEG1450	15 (%)
3	1	reservoir	glycerol	12 (%)