6WZ8

Complex of Pseudomonas 7A Glutaminase-Asparaginase with Citrate Anion at pH 5.5. Covalent Acyl-Enzyme Intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-09
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.149, 77.520, 137.126
Unit cell angles	90.00, 104.46, 90.00

Refinement procedure

Resolution	38.790 - 1.700
R-factor	0.1415
Rwork	0.141
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pga
RMSD bond length	0.014
RMSD bond angle	1.878
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]	38.800	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.121	0.641
Rpim	0.054	0.370
Number of reflections	159631	5642
<I/σ(I)>	17.2	2.6
Completeness [%]	96.0	67.9
Redundancy	5.8	3.7
CC(1/2)	0.992	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M sodium citrate, pH 5.5, 18% w/v PEG3350