8JUE

Crystal structure of glutaminase C in complex with compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	49.649, 139.510, 178.094
Unit cell angles	90.00, 93.49, 90.00

Refinement procedure

Resolution	109.990 - 2.390
R-factor	0.1915
Rwork	0.189
R-free	0.24408
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.990	2.475
High resolution limit [Å]	2.390	2.390
Rmerge	0.057	0.216
Rmeas		0.236
Rpim	0.026	0.096
Number of reflections	89723	9510
<I/σ(I)>	22.85	8.65
Completeness [%]	94.4
Redundancy	5.7
CC(1/2)	0.998	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% Polyethylene glycol 3350, 0.2 M magnesium chloride, 0.08 M 2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonicacid pH 7.5