8EVZ

DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	90.664, 199.046, 177.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.660 - 2.450
R-factor	0.2057
Rwork	0.204
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8evy
RMSD bond length	0.003
RMSD bond angle	0.674
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.660	2.520
High resolution limit [Å]	2.450	2.450
Rmerge	0.202	2.055
Rmeas	0.209	2.130
Rpim	0.056	0.559
Total number of observations	816987	65381
Number of reflections	59127	4569
<I/σ(I)>	12.8	1.5
Completeness [%]	99.9
Redundancy	13.8	14.3
CC(1/2)	0.998	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1M Tris pH 7.8, 5% gamma-PGA (Na+ form, LM), 30% PEG 500 MME