6FAL

Tryptophan Repressor TrpR from E.coli with 3-Indolepropionic 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	2015-08-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977960
Spacegroup name	P 1 21 1
Unit cell lengths	36.070, 45.250, 60.670
Unit cell angles	90.00, 104.02, 90.00

Refinement procedure

Resolution	35.875 - 1.200
R-factor	0.1627
Rwork	0.162
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.123
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]	35.875	35.875	1.230
High resolution limit [Å]	1.200	5.360	1.200
Rmerge	0.059	0.062	0.253
Rmeas	0.064	0.068	0.283
Total number of observations	363608
Number of reflections	59052	712	3923
<I/σ(I)>	19.03	33.8	6.02
Completeness [%]	98.9	99.7	89.5
Redundancy	6.157	6.219	5.11
CC(1/2)	0.997	0.993	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M MgCl2 0.1M Tris HCl, pH8.5 30% PEG 4000