6LHY

Crystal structure of ThsB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97910
Spacegroup name	P 1 21 1
Unit cell lengths	53.570, 67.731, 59.169
Unit cell angles	90.00, 92.38, 90.00

Refinement procedure

Resolution	29.559 - 1.796
R-factor	0.1925
Rwork	0.191
R-free	0.22580
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.951
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.796	1.800
Rmerge	0.092	0.605
Rpim	0.055	0.361
Number of reflections	39424	7689
<I/σ(I)>	12.35	2.31
Completeness [%]	99.0
Redundancy	3.8
CC(1/2)	0.941	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3 M NaCl, 0.1 M Tris pH 8.5