9VNW

Crystal structure of Pyrococcus abyssi AIR synthetase with an N-terminal 54-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	I 41 2 2
Unit cell lengths	88.693, 88.693, 182.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.500
R-factor	0.1971
Rwork	0.195
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9k00
RMSD bond length	0.003
RMSD bond angle	0.506
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	2.750
High resolution limit [Å]	2.500	2.500
Rmerge	0.064	0.516
Number of reflections	13070	3202
<I/σ(I)>	18.57	3.97
Completeness [%]	99.9	99.8
Redundancy	8.3	8.7
CC(1/2)	0.999	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Jeffamine T-403, Jeffamine ED-2003, Tris