7SBN

Human glutaminase C (Y466W) with L-Gln, closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03
Spacegroup name	P 1 21 1
Unit cell lengths	51.057, 140.148, 177.226
Unit cell angles	90.00, 95.37, 90.00

Refinement procedure

Resolution	47.790 - 2.140
R-factor	0.189
Rwork	0.188
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3o
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	HKL-2000 (721.2)
Data scaling software	HKL-2000 (721.2)
Phasing software	PHENIX (1.15.2_3472)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.790	2.180
High resolution limit [Å]	2.140	2.140
Rpim	0.083	0.482
Number of reflections	133802	12085
<I/σ(I)>	2.8
Completeness [%]	98.5	88.8
Redundancy	3	2.8
CC(1/2)	0.982	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	9% PEG 3350, 0.9 M LiCl and 0.1 M Tris pH 8.5