9VNU

Crystal structure of chimeric AIR synthetase constructed from E. coli (residues 1-168) and Pyrococcus abyssi (residues 163-334)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-11-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000
Spacegroup name	P 2 2 21
Unit cell lengths	98.911, 45.205, 75.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.900 - 2.400
R-factor	0.1925
Rwork	0.191
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9k00
RMSD bond length	0.004
RMSD bond angle	0.598
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	2.590
High resolution limit [Å]	2.400	2.400
Rmerge	0.109	0.614
Number of reflections	13687	2664
<I/σ(I)>	15.71	3.44
Completeness [%]	99.8	99.4
Redundancy	6.6	6.8
CC(1/2)	0.998	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	pentaerythritol ethoxylate (3/4 EO/OH), magnesium chloride