6F7F

Tryptophan Repressor TrpR from E.coli with 3-Indolepropionic acid

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	2015-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999990
Spacegroup name	P 43
Unit cell lengths	81.840, 81.840, 70.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.748 - 2.128
R-factor	0.1747
Rwork	0.172
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.002
RMSD bond angle	0.428
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]	44.748	44.748	2.180
High resolution limit [Å]	2.128	9.520	2.128
Rmerge	0.180	0.076	1.014
Rmeas	0.188	0.079	1.079
Number of reflections	26153	315	1828
<I/σ(I)>	12.2	32.26	2.47
Completeness [%]	99.5	99.1	93.9
Redundancy	12.331	12.927	8.164
CC(1/2)	0.997	0.998	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Calcium Chloride 0.1 M HEPES pH7.5 30% PEG 4000