6F9K

Tryptophan Repressor TrpR from E.coli with 5-methyl-L-tryptophan as ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 43 2 2
Unit cell lengths	53.146, 53.146, 90.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.880 - 1.399
R-factor	0.194
Rwork	0.193
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.009
RMSD bond angle	0.959
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.880	20.880	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.076	0.020	5.004
Rmeas	0.081	0.021	5.324
Total number of observations	222787
Number of reflections	26294	360	1875
<I/σ(I)>	14.74	70.78	0.38
Completeness [%]	99.5	98.1	98.5
Redundancy	8.475	7.147	8.609
CC(1/2)	1.000	1.000	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1M Citric acid pH3.5, 2.4M Ammonium sulfate, pH4.0 cryo: +25% glycerol