6ELG

Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetonitrile

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	2014-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999980
Spacegroup name	P 21 21 21
Unit cell lengths	55.014, 63.468, 65.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.090 - 1.380
R-factor	0.1449
Rwork	0.143
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.010
RMSD bond angle	0.994
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]	42.090	42.090	1.410
High resolution limit [Å]	1.380	6.150	1.380
Rmerge	0.061	0.019	0.802
Rmeas	0.067	0.021	0.881
Number of reflections	47916	619	3308
<I/σ(I)>	16.67	64.61	1.79
Completeness [%]	99.6	99.5	95
Redundancy	6.28	6.405	5.636
CC(1/2)	0.999	0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Ammonium Formate 20% PEG 3350