5HL1

Crystal structure of glutaminase C in complex with inhibitor CB-839

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.63
Spacegroup name	P 21 21 21
Unit cell lengths	98.530, 139.382, 177.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.479 - 2.400
R-factor	0.2257
Rwork	0.225
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3o
RMSD bond length	0.010
RMSD bond angle	1.121
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	96364
<I/σ(I)>	15.6
Completeness [%]	99.9
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% PEG6000