6WZ6

Complex of mutant (K173M) of Pseudomonas 7A Glutaminase-Asparaginase with L-Glu at pH 5. Covalent acyl-enzyme intermediate

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	2019-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	78.630, 130.463, 81.414
Unit cell angles	90.00, 118.95, 90.00

Refinement procedure

Resolution	34.510 - 1.150
R-factor	0.1
Rwork	0.100
R-free	0.12010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pga
RMSD bond length	0.018
RMSD bond angle	2.043
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]	34.510	1.180
High resolution limit [Å]	1.150	1.150
Rmerge	0.060	0.428
Rpim	0.025	0.260
Number of reflections	470476	13625
<I/σ(I)>	27.1	2.3
Completeness [%]	93.0	53.9
Redundancy	6.3	3.2
CC(1/2)	0.997	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.2 M sodium malonate, pH 5.0, 20% w/v PEG3350