6EJZ

Tryptophan Repressor TrpR from E.coli variant 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	2015-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000010
Spacegroup name	P 43
Unit cell lengths	82.440, 82.440, 75.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.175 - 1.900
R-factor	0.1857
Rwork	0.184
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tro
RMSD bond length	0.006
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.175	46.175	1.950
High resolution limit [Å]	1.900	8.480	1.900
Rmerge	0.080	0.023	1.924
Rmeas	0.084	0.024	2.006
Number of reflections	40110	473	2896
<I/σ(I)>	19.83	74.91	1.45
Completeness [%]	99.9	99.4	98.2
Redundancy	12.819	12.672	12.42
CC(1/2)	1.000	1.000	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1 M citric acid pH 3.5 2M ammonium sulfate