8EVV

Apo form of DdlA from Pseudomonas aeruginosa PAO1

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	P 21 21 21
Unit cell lengths	71.372, 80.329, 271.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 2.050
R-factor	0.2136
Rwork	0.211
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u1c
RMSD bond length	0.002
RMSD bond angle	0.522
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]	39.730	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.160	1.306
Rmeas	0.167	1.361
Rpim	0.046	0.380
Total number of observations	1309959	61181
Number of reflections	99163	4821
<I/σ(I)>	10.9	1.5
Completeness [%]	100.0
Redundancy	13.2	12.7
CC(1/2)	0.998	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M Calcium acetate hydrate, 20% PEG 3350