3AHI

H320A mutant of Phosphoketolase from Bifidobacterium Breve complexed with 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	174.426, 174.426, 163.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.210 - 2.100
R-factor	0.15226
Rwork	0.150
R-free	0.19388
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ahc
RMSD bond length	0.028
RMSD bond angle	2.031
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.071	0.305
Number of reflections	73304
<I/σ(I)>	47.5	10.1
Completeness [%]	100.0	100
Redundancy	14.7	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