1X1D

Crystal structure of BchU complexed with S-adenosyl-L-homocysteine and Zn-bacteriopheophorbide d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	93
Detector technology	CCD
Collection date	2004-11-27
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.25
Spacegroup name	P 65 2 2
Unit cell lengths	81.613, 81.613, 251.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.990 - 2.700
R-factor	0.237
Rwork	0.237
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1b
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	14488
<I/σ(I)>	16.7
Completeness [%]	99.7	99.7
Redundancy	19.1	15.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M TRIS, 1.5M ammonium sulfate, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M TRIS, 1.5M ammonium sulfate, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M TRIS, 1.5M ammonium sulfate, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K