7ALY

The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Au(I) for phasing

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	122.632, 122.632, 102.644
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.252 - 2.700
Rwork	0.194
R-free	0.23710
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.632
Data reduction software	Aimless (0.7.4)
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.160	47.160	2.830
High resolution limit [Å]	2.700	8.950	2.700
Rmerge	0.083	0.023	1.383
Rmeas	0.090	0.026	1.502
Rpim	0.035	0.010	0.582
Number of reflections	22698	691	3206
<I/σ(I)>	23.1
Completeness [%]	93.7
Redundancy	12.6	11.1	13
CC(1/2)	0.999	1.000	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate 2.5-3M, MPD 1%