8JTP

Crystal structure of apo Enoyl-Acyl Carrier Protein Reductase (FabI) from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	91.144, 92.257, 102.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.660 - 2.900
R-factor	0.2118
Rwork	0.208
R-free	0.27929
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.380
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	BALBES (1.0.0.Nov_16_2011)
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.150	3.080
High resolution limit [Å]	2.900	2.900
Rmeas	0.278
Rpim	0.090	0.680
Number of reflections	19828	3148
<I/σ(I)>	7.5	1.3
Completeness [%]	99.9	100
Redundancy	9.4	9.7
CC(1/2)	0.990	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2M sodium format, 20% PEG 3350