6WYW

Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 4.5

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	2019-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31
Unit cell lengths	80.728, 80.728, 176.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.380 - 2.130
R-factor	0.144
Rwork	0.142
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pga
RMSD bond length	0.019
RMSD bond angle	2.183
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]	39.400	2.180
High resolution limit [Å]	2.130	2.130
Rmerge	0.061	0.267
Rpim	0.028	0.127
Number of reflections	71715	1789
<I/σ(I)>	27.3	5.6
Completeness [%]	97.2	48.4
Redundancy	5.7	5.1
CC(1/2)	0.995	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1 M sodium acetate, pH 4.5, 25% w/v PEG3350