1LKP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2000-09-19
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	48.344, 80.092, 100.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.370 - 1.640
R-factor	0.178
Rwork	0.178
R-free	0.20230 *
Structure solution method	Difference Fourier analysis
Starting model (for MR)	Rubrerythrin all-iron(II) form
RMSD bond length	0.005
RMSD bond angle	19.400 *
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	1.700
High resolution limit [Å]	1.640	1.640
Rmerge	0.058	0.186
Total number of observations	133046 *
Number of reflections	21509 *
<I/σ(I)>	46.5	5.1
Completeness [%]	88.6 *	46.2
Redundancy	6.1	1.1

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 (%)