1L9J

X-Ray Structure of the Cytochrome-c(2)-Photosynthetic Reaction Center Electron Transfer Complex from Rhodobacter sphaeroides in Type I Co-Crystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-10
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	77.930, 80.312, 246.575
Unit cell angles	90.00, 92.41, 90.00

Refinement procedure

Resolution	50.000 * - 3.250
R-factor	0.248 *
Rwork	0.248
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID Code 1AIJ and 1CXC are starting models for the reaction center and cytochrome c2 respectively. RESIDUES LISTED IN REMARK 465 ARE MISSING DUE TO LACK OF ELECTRON DENSITY. ATOMS ON THE ISOPRENOID TAIL OF BCL 1001 and 2001 BPH 1005 and 2005 AND U10 1008 and 2008 ARE MISSING DUE TO THE LACK OF ELECTRON DENSITY.
RMSD bond length	0.008
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.320	3.430
High resolution limit [Å]	3.250	3.250
Rmerge	0.119 *	0.450 *
Total number of observations	348873 *
Number of reflections	47751
<I/σ(I)>	4.8	1.7
Completeness [%]	98.9	98.8 *
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	19 *	PEG 4000, lauryl-dimethylamine-N-oxide, heptane-1,2,3-triol, tricine buffer, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.7 (mg/ml)
2	1	drop	cytochrome c2	2 (mg/ml)
3	1	drop	PEG4000	10 (%(w/v))
4	1	drop	LDAO	0.06 (%(w/v))
5	1	drop	heptanetriol	3.9 (%(w/v))
6	1	drop	Tricine	15 (mM)	pH8.5
7	1	reservoir	PEG4000	22 (%(w/v))
8	1	reservoir	Tricine	50 (mM)	pH8.5