8EVX

DdlA 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 MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	47.467, 133.053, 53.852
Unit cell angles	90.00, 109.17, 90.00

Refinement procedure

Resolution	37.180 - 1.550
R-factor	0.1994
Rwork	0.198
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8evw
RMSD bond length	0.003
RMSD bond angle	0.829
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]	39.150	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.101	0.449
Rmeas	0.109	0.492
Rpim	0.041	0.195
Total number of observations	558968	24330
Number of reflections	84998	4160
<I/σ(I)>	10.9	2.6
Completeness [%]	93.5
Redundancy	6.6	5.8
CC(1/2)	0.996	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2M Potassium Sodium Tartrate tetrahydrate, 20% PEG3350