9PIA

Human glutaminase C mutant S482C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8857
Spacegroup name	P 1 21 1
Unit cell lengths	50.851, 138.209, 177.122
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	49.610 - 2.990
R-factor	0.1884
Rwork	0.188
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.083
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	2.990	8.130	3.000
Rmerge		0.042	1.614
Rmeas	0.240	0.046
Rpim	0.091	0.018	0.650
Number of reflections	49294	2552	2404
<I/σ(I)>	2.3
Completeness [%]	100.0	100	100
Redundancy	6.9	6.6	7.1
CC(1/2)	0.987	0.998	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	LiCl, PEG 6000, Tris pH 8.5