8S6L

AzeD dehydratase of Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980112
Spacegroup name	P 21 21 21
Unit cell lengths	56.460, 67.590, 116.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.200 - 1.550
R-factor	0.14808
Rwork	0.146
R-free	0.19447
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.467
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.200	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.064	1.079
Rmeas	0.067	1.122
Rpim	0.019	0.303
Total number of observations		63708
Number of reflections	65281	4701
<I/σ(I)>	20	1.9
Completeness [%]	99.9
Redundancy	13.1	13.6
CC(1/2)	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM bis-Tris methane at pH 6.5 and 25% PEG-3350