1X1B

Crystal structure of BchU complexed with S-adenosyl-L-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	93
Detector technology	CCD
Collection date	2004-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	81.207, 81.207, 251.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.830 - 2.600
R-factor	0.232
Rwork	0.232
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x19
RMSD bond length	0.011
RMSD bond angle	1.700
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	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	15926
Completeness [%]	99.7	100
Redundancy	31.7	30.4

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