5JYP

Allosteric inhibition of Kidney Isoform of Glutaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	139.556, 139.556, 156.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.989 - 2.740
R-factor	0.2116
Rwork	0.209
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voz
RMSD bond length	0.008
RMSD bond angle	0.965
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2420)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.790
High resolution limit [Å]	2.740	2.740
Rmerge	0.093	0.572
Number of reflections	26186
<I/σ(I)>	20.27
Completeness [%]	99.5	94.9
Redundancy	7	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Bis-Tris propane (pH 7), 4% DMSO, 2 M LiSO4