8BMV

Ligand binding domain of the P. Putida receptor McpH in complex with Uric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	32.581, 124.322, 57.201
Unit cell angles	90.00, 99.33, 90.00

Refinement procedure

Resolution	32.150 - 1.950
R-factor	0.1847
Rwork	0.182
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF2
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP (11.0 /22.07.2010/)
Refinement software	PHENIX (1..20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.320	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.055	0.780
Rmeas	0.068	0.948
Rpim	0.039	0.532
Total number of observations	91788	6969
Number of reflections	31404	2283
<I/σ(I)>	11.4	1.7
Completeness [%]	96.1
Redundancy	2.9	3.1
CC(1/2)	0.998	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293.5	100 mM cacodilato sodico a diferentes pH5.0, 30% Peg 8000,10% Glicerol,20 mM AcNA