6F7G

Tryptophan Repressor TrpR from E.coli with 5-Methyltryptamine

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	2015-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999930
Spacegroup name	P 1 21 1
Unit cell lengths	35.349, 55.548, 66.992
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	34.931 - 1.656
R-factor	0.187
Rwork	0.185
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.006
RMSD bond angle	0.772
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]	34.931	34.931	1.700
High resolution limit [Å]	1.656	7.410	1.656
Rmerge	0.074	0.045	0.310
Rmeas	0.081	0.048	0.339
Number of reflections	29831	364	1935
<I/σ(I)>	15.27	33.38	4.06
Completeness [%]	97.3	98.9	84.7
Redundancy	6.166	6.893	5.909
CC(1/2)	0.997	0.998	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 Sodium Chloride 0.1 M HEPES pH7.5 25% PEG 3350