9NXV

Crystal Structure of Glutathione S-Transferase Bla g 5 (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	2024-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	51.605, 82.173, 102.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.240 - 1.350
R-factor	0.1622
Rwork	0.161
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.795
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]	33.240	1.330
High resolution limit [Å]	1.270	1.270
Rmerge	0.078	1.973
Rmeas	0.083	2.108
Rpim	0.029	0.730
Total number of observations	892114	129706
Number of reflections	113051	16555
<I/σ(I)>	10.9	1.1
Completeness [%]	97.1
Redundancy	7.9	7.8
CC(1/2)	0.999	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.01M Sodium Citrate, 33% PEG6000