1OVV

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

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	2002-09-30
Detector	MARRESEARCH
Wavelength(s)	1.2000
Spacegroup name	P 21 21 21
Unit cell lengths	36.920, 80.050, 96.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.900
R-factor	0.26943
Rwork	0.267
R-free	0.31979
Structure solution method	UNCONVENTIANAL METHOD USING THE GROUP-SUBGROUP RELATION
RMSD bond length	0.028
RMSD bond angle	2.502
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.109	0.573
Number of reflections	6492
<I/σ(I)>	11.2	3.1
Completeness [%]	96.8	89
Redundancy	5.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Peg 400, TRIS-HCl, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K