6WYZ

Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase (mutant K173M) in complex with D-Glu at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31
Unit cell lengths	81.282, 81.282, 176.703
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.610 - 1.700
R-factor	0.1725
Rwork	0.171
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pga
RMSD bond length	0.020
RMSD bond angle	2.233
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.610	1.750
High resolution limit [Å]	1.700	1.700
Rmerge	0.088	1.092
Rpim	0.030	0.452
Number of reflections	142831	7101
<I/σ(I)>	27.4	1.9
Completeness [%]	99.6	98.8
Redundancy	9.5	6.4
CC(1/2)	0.995	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M magnesium chloride, 50 mM Bis-Tris, pH 5.5, 20% w/v PEG3350