6ENI

Tryptophan Repressor TrpR from E.coli variant T44L S88Y with Indole-3-acetic acid as ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000040
Spacegroup name	P 21 21 21
Unit cell lengths	54.780, 63.410, 64.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.915 - 1.100
R-factor	0.1591
Rwork	0.158
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.915	34.915	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.051	0.041	0.724
Rmeas	0.053	0.043	0.760
Number of reflections	87129	1154	5192
<I/σ(I)>	26.92	64.19	3.98
Completeness [%]	94.5	99.4	77
Redundancy	12.692	12.223	10.722
CC(1/2)	0.999	0.998	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1 M MMT buffer pH 4 25 % PEG 1500