8GXJ

Pseudomonas aeruginosa N-acetyltransferase domain-containing protein PA3270

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9790
Spacegroup name	P 41 21 2
Unit cell lengths	100.250, 100.250, 147.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.410 - 2.180
R-factor	0.2108
Rwork	0.208
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yre
RMSD bond length	0.011
RMSD bond angle	1.157
Data reduction software	HKL-2000 (v1.0)
Data scaling software	HKL-2000 (v1.0)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.410	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.146	0.441
Number of reflections	74789	5420
<I/σ(I)>	39.34	1.7
Completeness [%]	99.7	99.95
Redundancy	13.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1% n-Octyl-D-glucoside, 0.1M Sodium citrate pH 5.5, 22% PEG3350