9NXT

Crystal Structure of Glutathione S-Transferase Per a 23 (sigma class)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	98.729, 49.619, 103.440
Unit cell angles	90.00, 118.10, 90.00

Refinement procedure

Resolution	35.880 - 1.500
R-factor	0.1705
Rwork	0.170
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.875
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	277798	26835
<I/σ(I)>	8.8
Completeness [%]	99.8
Redundancy	1.96
CC(1/2)	0.996	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	18mM MgCl2, 18mM CaCl2, 0.1M HEPES/MOPS, pH7.5, 9.375% MPD, 9.375% PEG1000, 9.375%PEG3350