4MRA

Crystal structure of Gpb in complex with QUERCETIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	293
Detector technology	CCD
Collection date	2013-03-23
Detector	MAR CCD 165 mm
Wavelength(s)	0.8
Spacegroup name	P 43 21 2
Unit cell lengths	126.600, 126.600, 115.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.230 - 2.340
R-factor	0.18196
Rwork	0.179
R-free	0.24395
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3sym
RMSD bond length	0.014
RMSD bond angle	1.616
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.340	2.340
Number of reflections	40399
<I/σ(I)>	18	5
Completeness [%]	100.0	100
Redundancy	9.9	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.7	289	10mM BES buffer, pH 6.7, SMALL TUBES, temperature 289K