9JZZ

Crystal structure of Pyrococcus horikoshii AIR synthetase bound to AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-12-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	55.966, 55.966, 198.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.050 - 2.050
R-factor	0.2248
Rwork	0.223
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9jzy
RMSD bond length	0.002
RMSD bond angle	0.561
Data reduction software	XDS (6.3.3.1)
Data scaling software	XDS (6.3.3.1)
Phasing software	PHENIX (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.068	0.760
Number of reflections	20693	2877
<I/σ(I)>	19.62	3.35
Completeness [%]	99.9	99.4
Redundancy	8.2	8.5
CC(1/2)	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	zinc acetate, 2-propanol, sodium cacodylate