7B3N

AmiP amidase-3 from Thermus parvatiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.2824
Spacegroup name	P 21 21 21
Unit cell lengths	64.539, 97.988, 148.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.679 - 1.793
Rwork	0.185
R-free	0.22530
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.604
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.530	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.035	1.132
Rmeas	0.050	1.601
Rpim	0.035	1.132
Number of reflections	86433	3209
<I/σ(I)>	9.2	0.8
Completeness [%]	96.9	69.3
Redundancy	1.9	1.9
CC(1/2)	0.999	0.283

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	298	0.1 M hepes pH 7.8, 65 % MPD