7REN

Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE G3
Synchrotron site	CHESS
Beamline	G3
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-06-10
Detector	DECTRIS EIGER2 X 1M
Wavelength(s)	1.127
Spacegroup name	P 1 21 1
Unit cell lengths	53.200, 138.440, 177.490
Unit cell angles	90.00, 93.44, 90.00

Refinement procedure

Resolution	20.440 - 2.800
R-factor	0.2121
Rwork	0.210
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wj6
RMSD bond length	0.010
RMSD bond angle	1.185
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.440	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	61831	6026
<I/σ(I)>	5
Completeness [%]	97.9
Redundancy	27.4
CC(1/2)	0.972	0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.0 M lithium chloride, 10% PEG6000, 0.1 M Tris, pH 8.5