9VX9

Crystal structure of AcrIE8.1 from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2024-10-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	46.560, 46.560, 62.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.780 - 2.680
R-factor	0.1972
Rwork	0.193
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.649
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17_3644: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.780	2.779
High resolution limit [Å]	2.680	2.683
Number of reflections	45230	4441
<I/σ(I)>	45.05
Completeness [%]	99.8
Redundancy	18.8
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.1M DL-Malic acid pH 7.0