1HH7

REFINED CRYSTAL STRUCTURE OF CYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS AT 1.4 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-23
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	64.670, 64.670, 68.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.000 - 1.400
R-factor	0.1508
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c2c
RMSD bond length	0.011
RMSD bond angle	0.029
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	1.470
High resolution limit [Å]	1.400	1.400
Rmerge	0.096	0.507
Total number of observations	394132 *
Number of reflections	31246
<I/σ(I)>	5.9	5.9
Completeness [%]	99.8	99.8
Redundancy	12	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	291 *	60% AMMONIUM SULPHATE, 0.1 M TRIS PH 9.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.67 (mM)	9.0mg/ml
2	1	drop	phosphate	200 (mM)
3	1	reservoir	ammonium sulfate	61 (%sat)
4	1	reservoir	Tris-HCl	0.1 (M)