6FT2

Structure of the periplasmic binding protein LAO-Q122A in complex with arginine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	37.410, 58.440, 101.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.620 - 1.250
R-factor	0.181
Rwork	0.179
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1laf
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.620	1.320
High resolution limit [Å]	1.250	1.250
Number of reflections	62491	9589
<I/σ(I)>	13.27	1.92
Completeness [%]	99.3	96
Redundancy	8.9	8.5
CC(1/2)	0.990	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG4000; 0.1M Mes pH6.5; 0.1M CaCl2