1QL4

Structure of the soluble domain of cytochrome c552 from Paracoccus denitrificans in the oxidised state

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Wavelength(s)	1.0972, 1.7370
Spacegroup name	P 21 21 21
Unit cell lengths	53.660, 54.700, 142.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.500
R-factor	0.231
Rwork	0.231
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.3)
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.056	0.218
Total number of observations	241918 *
Number of reflections	67817
<I/σ(I)>	20.2	4.2
Completeness [%]	99.9	99.9
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2 *	18 *	pH 4.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	cytchrome	1 (mM)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		20 (mM)
4	1	reservoir	sodium acetate	50 (mM)
5	1	reservoir	PEG1500	22.0-22.5 (%)
6	1	reservoir	glycerol	10 (%(v/v))