4O7D

Crystal structure of human glutaminase in complex DON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	I 41 2 2
Unit cell lengths	139.278, 139.278, 155.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.771 - 2.300
R-factor	0.1937
Rwork	0.193
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.300
Number of reflections	34102
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	0.1M Bis-Tris propane (pH 7.2), 1.8M Lithium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K