6GZ2

Crystal Structure of the LeuO Effector Binding Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	64.990, 88.770, 97.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.020 - 1.940
R-factor	0.2106
Rwork	0.209
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.565
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.028	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.082	1.670
Rmeas	0.086	1.747
Rpim	0.024	0.505
Number of reflections	21191	1039
<I/σ(I)>	19.7
Completeness [%]	99.8	100
Redundancy	12.7	11.7
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.4 M Sodium malonate pH 7.0, 0.1 M Bis-Tris propane pH 7.0