9VNV

Crystal structure of Pyrococcus abyssi AIR synthetase with an N-terminal 43-residues deletion

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	2024-09-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	50.351, 97.325, 124.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.500
R-factor	0.1907
Rwork	0.188
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9k00
RMSD bond length	0.002
RMSD bond angle	0.416
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	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.091	0.609
Number of reflections	21814	3202
<I/σ(I)>	15.12	3.1
Completeness [%]	99.7	98.6
Redundancy	6.4	6.7
CC(1/2)	0.998	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303	sodium thiocyanate, pentaerythritol propoxylate (5/4 PO/OH), HEPES