7OS9

Crystal Structure of Domain Swapped Trp Repressor V58I Variant with purification tag

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 61 2 2
Unit cell lengths	85.747, 85.747, 115.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.470 - 2.450
R-factor	0.2561
Rwork	0.255
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6st6
RMSD bond length	0.001
RMSD bond angle	0.358
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.470	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	9751	937
<I/σ(I)>	33.33
Completeness [%]	100.0
Redundancy	37.1
CC(1/2)	0.990	0.930

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