9NXW

Crystal Structure of Glutathione S-Transferase Bla g 24 (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	2023-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	48.425, 83.598, 54.920
Unit cell angles	90.00, 106.75, 90.00

Refinement procedure

Resolution	32.720 - 1.330
R-factor	0.1749
Rwork	0.174
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.762
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]	32.730	1.380
High resolution limit [Å]	1.330	1.330
Rmerge		0.370
Number of reflections	196885	8264
<I/σ(I)>	8.2
Completeness [%]	98.6
Redundancy	2
CC(1/2)	0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M CaCl2, 0.1M HEPES pH 7.5, 30% PEG4000