3M49

Crystal Structure of Transketolase Complexed with Thiamine Diphosphate from Bacillus anthracis

Replaces:  3K95

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	83.333, 132.087, 137.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.732 - 2.000
R-factor	0.139
Rwork	0.137
R-free	0.17200
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.278
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	103149
<I/σ(I)>	9	6.5
Completeness [%]	100.0	100
Redundancy	8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2 M Ammomium sulfate, 0.1 M Bis-Tris pH 6.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K