3AHJ

H553A mutant of Phosphoketolase from Bifidobacterium Breve

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	175.077, 175.077, 163.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.610 - 2.100
R-factor	0.15939
Rwork	0.158
R-free	0.19111
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ahc
RMSD bond length	0.029
RMSD bond angle	1.962
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	0.077	0.332
Number of reflections	73937
<I/σ(I)>	42.1	6.9
Completeness [%]	99.8	99.9
Redundancy	14.6	13.2

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