9JZW

Crystal structure of E. coli 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	2024-11-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	71.697, 94.408, 211.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.360 - 2.100
R-factor	0.2002
Rwork	0.198
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
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	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.720
Number of reflections	82539	2711
<I/σ(I)>	14.7	2.89
Completeness [%]	98.4	96.4
Redundancy	6.7	2.89
CC(1/2)	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate, 2-propanol