6ST6

Crystal Structure of Domain Swapped Trp Repressor V58I Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.9677
Spacegroup name	P 61 2 2
Unit cell lengths	85.260, 85.260, 115.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.990 - 2.050
R-factor	0.2786
Rwork	0.277
R-free	0.31060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mi7
RMSD bond length	0.002
RMSD bond angle	0.413
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.450	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.076	0.262
Rmeas	0.077	0.265
Number of reflections	16145	1570
<I/σ(I)>	34.59	1.74
Completeness [%]	99.9	99.94
Redundancy	44.04
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM Na HEPES, 100 mM sodium chloride, 27.5-35%(v/v) isopropanol, pH 7.5