6ST7

Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 61 2 2
Unit cell lengths	86.830, 86.830, 114.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.410 - 2.450
R-factor	0.2561
Rwork	0.254
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6st6
RMSD bond length	0.002
RMSD bond angle	0.388
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]	45.570	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.063	0.209
Rmeas	0.066	0.220
Number of reflections	9881	1543
<I/σ(I)>	17.52
Completeness [%]	99.9	99.9
Redundancy	10.49
CC(1/2)	1.000	0.434

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