9NXU

Crystal Structure of Glutathione S-Transferase Per a 5 (delta 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	2024-02-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	51.678, 57.549, 72.497
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	30.340 - 1.300
R-factor	0.1509
Rwork	0.151
R-free	0.16090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.877
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.450	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.019
Number of reflections	103391	10165
<I/σ(I)>	16.5
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Tris pH 8.5, 0.2M MgCl2, 28% PEG4000