2O6P

Crystal Structure of the heme-IsdC complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	277
Collection date	2006-08-31
Wavelength(s)	0.933, 1.739, 1.741, 1.722
Spacegroup name	P 21 21 21
Unit cell lengths	47.489, 70.441, 88.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.990 - 1.500
R-factor	0.19487
Rwork	0.193
R-free	0.22204
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.444
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.030	0.430
Number of reflections	45711
<I/σ(I)>	12.3	1.8
Redundancy	4.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	IsdC at 95mg/ml in 50mM Tris-HCl pH 8.0, 500mM NaCl mixed in equal volumes (2 + 2 l) with reservoir solution containing 26% PEG 550, MME, 18mM zinc sulphate, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K