1DV3

PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-SEPARATED D+QAQB-STATE WITH THE PROTON TRANSFER INHIBITOR CD2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1999-05-05
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	141.250, 141.250, 275.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.500
R-factor	0.227
Rwork	0.226
R-free	0.25200
RMSD bond length	0.014
RMSD bond angle	1.650
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]	27.800	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.086	0.330
Total number of observations	91189 *
Number of reflections	12363 *
<I/σ(I)>	7.2
Completeness [%]	94.5	78.3
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	25 *	PEG 4000, heptanetriol, TRIS-HCL, LDAO detergent, sodium chloride, 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	10 (mg/ml)
2	1	drop	Tris-Cl	10 (mM)
3	1	drop	PEG4000	6.0 (%)
4	1	drop	ampiphiles benzamidine hydrochloride	0.4 (%)
5	1	drop	heptane triol	2.5 (%)
6	1	reservoir	PEG4000	32 (%)