2ZBT

Crystal structure of pyridoxine biosynthesis protein from Thermus thermophilus HB8

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-09
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97904, 0.9000, 0.97942
Spacegroup name	H 3
Unit cell lengths	180.970, 180.970, 100.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.960 - 1.650
R-factor	0.194
Rwork	0.194
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.040	0.221
Number of reflections	148066
<I/σ(I)>	52.73	6.2
Completeness [%]	100.0	100
Redundancy	7.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	0.1M Magnesium acetate, 0.1M Sodium cacodylate pH6.7, 22.5% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	0.1M Magnesium acetate, 0.1M Sodium cacodylate pH6.7, 22.5% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	0.1M Magnesium acetate, 0.1M Sodium cacodylate pH6.7, 22.5% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K