6F9G

Ligand binding domain of P. putida KT2440 polyamine chemorecpetors McpU in complex putrescine.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9790, 0.979117,0.9767
Spacegroup name	C 2 2 21
Unit cell lengths	133.984, 164.521, 123.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.530 - 2.388
R-factor	0.1967
Rwork	0.195
R-free	0.23450
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.551
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.530	2.473
High resolution limit [Å]	2.388	2.388
Rmerge	0.094	0.598
Rmeas	0.114	0.727
Rpim	0.062	0.403
Number of reflections	52459	4922
<I/σ(I)>	8.8	1.51
Completeness [%]	96.3	90.98
Redundancy	3	2.8
CC(1/2)	0.995	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6	293	30% PEG 4K, 0.2M NH4-acetate, 0.1M Na-acetate pH 6.0