6EKP

Tryptophan Repressor TrpR from E.coli variant T44L T81M 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	2014-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000020
Spacegroup name	P 21 21 21
Unit cell lengths	55.035, 63.123, 64.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.904 - 1.460
R-factor	0.173
Rwork	0.172
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.904	41.904	1.500
High resolution limit [Å]	1.460	6.520	1.460
Rmerge	0.033	0.032	0.823
Rmeas	0.038	0.038	0.939
Number of reflections	39396	493	2744
<I/σ(I)>	20.4	49.64	1.9
Completeness [%]	98.6	95.4	93.6
Redundancy	4.292	3.819	4.129
CC(1/2)	0.999	0.997	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 Calcium Chloride 0.1M Bis-Tris pH 6.5 30% PEG 550 MME