3AHD

Phosphoketolase from Bifidobacterium Breve complexed with 2-acetyl-thiamine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	174.448, 174.448, 163.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.120 - 1.900
R-factor	0.16357
Rwork	0.162
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ahc
RMSD bond length	0.030
RMSD bond angle	2.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0102)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.349
Number of reflections	98846
<I/σ(I)>	52.6	9
Completeness [%]	99.9	100
Redundancy	14.6	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	24%(v/v) PEG 6000, 0.1M BICINE buffer, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K