9R0W

Crystal structure of glutathione transferase iota 1 from Synechocystis sp. PCC 6803 in complex with FMN

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	2019-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	C 2 2 21
Unit cell lengths	123.313, 173.927, 318.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.791 - 2.710
Rwork	0.208
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.791	2.780
High resolution limit [Å]	2.710	2.710
Number of reflections	92848	6239
<I/σ(I)>	22.3	1.6
Completeness [%]	99.2
Redundancy	14
CC(1/2)	1.000	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	30% PEG 4000, 200 mM LiSO4, 100 mM Tris