7ALZ

GqqA- a novel type of quorum quenching acylases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	59.627, 62.853, 95.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 1.670
R-factor	0.15919
Rwork	0.158
R-free	0.18552
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.789
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.670	1.670
Rmeas	0.060	0.610
Number of reflections	79955	12767
<I/σ(I)>	21.9	3.36
Completeness [%]	99.7	98
Redundancy	6.82	6.67
CC(1/2)	0.990	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% PEG3350