6ELB

Tryptophan Repressor TrpR from E.coli variant M42F T44L T81M N87G S88Y with Indole-3-acetic acid as ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 21 21 21
Unit cell lengths	55.090, 63.310, 65.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.370 - 1.437
R-factor	0.1559
Rwork	0.154
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.370	45.370	1.470
High resolution limit [Å]	1.437	6.430	1.440
Rmerge	0.047	0.023	1.185
Rmeas	0.051	0.025	1.283
Number of reflections	41356	532	2843
<I/σ(I)>	18.91	54.91	1.4
Completeness [%]	98.3	98.3	92.2
Redundancy	7.179	6.1	6.645
CC(1/2)	1.000	1.000	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG 3350 0.17M KCl 3% D-(+) Trehalose dihydrate