4XEU

Crystal structure of a transketolase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	76.150, 76.150, 193.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.1657
Rwork	0.164
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r8o
RMSD bond length	0.012
RMSD bond angle	1.431
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.069	0.025	0.560
Rmeas	0.076	0.027	0.610
Total number of observations	296240
Number of reflections	48109	593	3537
<I/σ(I)>	18.55	50.85	3.47
Completeness [%]	99.3	90.5	100
Redundancy	6.2		6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	PsaeA.01294.a.B1 at 20 mg/mL against MCSG 1 screen condition E9, 0.2 M CaCl2, 25% PEG 3350 supplemented with 20% EG as cryo-protected