1OVU

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form I)

Experimental procedure

Experimental method	1.200
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-01
Detector	MARRESEARCH
Wavelength(s)	1.20000
Spacegroup name	C 2 2 21
Unit cell lengths	89.780, 147.720, 37.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.2496
Rwork	0.247
R-free	0.30439
Structure solution method	UNCONVENTIONAL METHOD USING THE GROUP-SUBGROUP RELATION
RMSD bond length	0.025
RMSD bond angle	2.876
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.200	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.236	0.515
Number of reflections	4679
<I/σ(I)>	5.9	1.9
Completeness [%]	97.7	97.7
Redundancy	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	CO(CH3COO)2 30 mM, buffer tris 100 mM pH 7.5, peg 400 43%, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50