6ELF

Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetic 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	2014-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	54.960, 63.410, 64.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.969 - 1.832
R-factor	0.1792
Rwork	0.177
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.013
RMSD bond angle	1.202
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]	34.969	34.969	1.880
High resolution limit [Å]	1.830	8.190	1.830
Rmerge	0.093	0.052	2.186
Rmeas	0.098	0.055	2.292
Number of reflections	20421	269	1421
<I/σ(I)>	17.67	43.49	1.21
Completeness [%]	99.5	98.5	95.1
Redundancy	12.535	11.052	11.14
CC(1/2)	0.998	0.997	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES pH 6.5 12 % PEG 20000