7PZT

Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97106
Spacegroup name	P 21 21 21
Unit cell lengths	47.051, 71.407, 95.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.344 - 1.840
Rwork	0.190
R-free	0.23270
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.499
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.310	1.870
High resolution limit [Å]	1.840	1.840
Number of reflections	28829	1399
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.989	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.06 M divalents (0.3 M MgCl2.6H2O + 0.3 M CaCl2.2H2O), 0.1 M buffer system 1 (1.0 M Imidazole, 1.0 M MES monohydrate) pH 6.5, 30 % v/v precipitant mix 1 (40 % v/v PEG 500 MME, 20 % w/v PEG 20000)