8FBZ

Crystal Structure of apo human Glutathione Synthetase Y270E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-03
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	80.834, 94.051, 125.122
Unit cell angles	90.00, 92.52, 90.00

Refinement procedure

Resolution	47.070 - 1.590
Rwork	0.160
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.357
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.070	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.093	0.687
Rmeas	0.106	0.778
Rpim	0.066	0.359
Number of reflections	123489	5993
<I/σ(I)>	10.1	2.1
Completeness [%]	98.6
Redundancy	4.3
CC(1/2)	0.996	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	HEPES, PEG400, ammonium sulfate