3AHH

H142A 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	2009-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	174.606, 174.606, 163.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.150 - 2.100
R-factor	0.16026
Rwork	0.158
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ahc
RMSD bond length	0.029
RMSD bond angle	2.139
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	0.072	0.284
Number of reflections	73374
<I/σ(I)>	44.7	9.7
Completeness [%]	100.0	100
Redundancy	14.7	14.9

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