2GNU

The crystallization of reaction center from Rhodobacter sphaeroides occurs via a new route

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 42 21 2
Unit cell lengths	100.422, 100.422, 235.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.200
Rwork	0.200
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ogv
RMSD bond length	0.020
RMSD bond angle	2.658
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.851	52.630	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.117	0.046	0.641
Total number of observations		20633	43649
Number of reflections	61848	2151	8893
<I/σ(I)>	5.6	11.1	0.9
Completeness [%]	99.8
Redundancy	10.2	9.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	20% jeffamine M600, 1M HEPES, 0.7M (NH4)2SO4, 2.5% 1,2,3-heptanetriol, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K