1FJ0

STRUCTURE DETERMINATION OF THE FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS

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 1 21 1
Unit cell lengths	50.310, 71.530, 66.660
Unit cell angles	90.00, 93.52, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.178 *
Rwork	0.178
R-free	0.21793
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c2c
RMSD bond length	0.010 *
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.087	0.358
Total number of observations	194662 *
Number of reflections	51959
<I/σ(I)>	11	3.6
Completeness [%]	99.9	99.7
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	293	ammonium sulfate, ferricyanide, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9.0 (mg/ml)	pH6.0
2	1	drop	phosphate	20 (mM)
3	1	reservoir	ammonium sulfate	42-44 (%sat)
4	1	reservoir	citrate	0.1 (M)	pH4.4