4JKT

Crystal structure of mouse Glutaminase C, BPTES-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-07
Detector	MAR CCD 165 mm
Wavelength(s)	1.608
Spacegroup name	P 21 21 21
Unit cell lengths	100.670, 140.240, 180.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.999 - 2.770
R-factor	0.2553
Rwork	0.253
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ss3
RMSD bond length	0.003
RMSD bond angle	0.783
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.390	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.151	0.323
Number of reflections	63967
<I/σ(I)>	4.5	2.8
Completeness [%]	95.5	46.2
Redundancy	3.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	17% PEG3350, 0.2 M NaCl, 0.1 M BIS-TRIS, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K