8GWR

Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	143.194, 143.194, 167.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.871 - 2.801
R-factor	0.2055
Rwork	0.204
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voy
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.091
Number of reflections	94454	3870
<I/σ(I)>	31.47
Completeness [%]	100.0
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	1.5M sodium malonate pH 7, 4% jeffamine