2PWE

Crystal structure of the MutB E254Q mutant in complex with the substrate sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.9797
Spacegroup name	P 1
Unit cell lengths	64.310, 73.730, 82.750
Unit cell angles	66.18, 74.51, 72.55

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.190
R-free	0.23500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.130
High resolution limit [Å]	2.000	2.000
Number of reflections	85358
<I/σ(I)>	12.38	4.29
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	11% PEG20000, 0.1M Hepes, 0.01M L-cysteine, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 290K