9JZY

Crystal structure of Pyrococcus horikoshii AIR synthetase

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	2023-11-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	56.022, 56.022, 198.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.540 - 2.260
R-factor	0.2101
Rwork	0.207
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house SAD model
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	XDS (v20200131)
Data scaling software	XDS (v20200131)
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	2.400
High resolution limit [Å]	2.260	2.260
Rmerge	0.087	0.175
Number of reflections	15440	2488
<I/σ(I)>	20.57	10.48
Completeness [%]	98.4	97.8
Redundancy	12.3	13.2
CC(1/2)	0.997	0.993

Crystallization Conditions

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