6GZ1

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)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	71.961, 53.300, 55.797
Unit cell angles	90.00, 113.08, 90.00

Refinement procedure

Resolution	21.859 - 1.740
R-factor	0.1797
Rwork	0.177
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oxn
RMSD bond length	0.004
RMSD bond angle	0.672
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc3_3206: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.860	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.062	0.449
Rmeas	0.074	0.556
Rpim	0.040	0.324
Number of reflections	19969	967
<I/σ(I)>	9.9	1
Completeness [%]	99.6	97.8
Redundancy	3.2	2.7
CC(1/2)	0.998	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M Lithium sulfate, 0.1 M Bis-Tris pH5.5,25% PEG 3350