7PKA

Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980111
Spacegroup name	P 43 21 2
Unit cell lengths	92.613, 92.613, 193.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.470 - 2.160
R-factor	0.2167
Rwork	0.216
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsz
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS (VERSION Jan 31, 2020)
Data scaling software	Aimless (Version 0.7.4)
Phasing software	MoRDa
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	2.230
High resolution limit [Å]	2.160	2.160
Rmerge	0.115	1.749
Rpim	0.023	0.343
Number of reflections	45994	3829
<I/σ(I)>	21.6	2.5
Completeness [%]	99.7	97.4
Redundancy	26.6	25.3
CC(1/2)	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	Protein solution: 44 mg/mL protein, 12 mM GSH, 30mM Tris pH 8, 200 mM NaCl; Reservoir solution: 16% (w/v) PEG 8000, 40 mM Potassium phosphate monobasic 2, 20% (v/v) Glycerol