7FC8

Crystal structure of the Apo enoyl-ACP-reductase (FabI) from Moraxella catarrhalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-01-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 42 21 2
Unit cell lengths	74.982, 74.982, 101.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.860 - 2.377
R-factor	0.2029
Rwork	0.200
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zju
RMSD bond length	0.006
RMSD bond angle	1.496
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.360	6.400	2.360
Rmerge	0.065	0.029	0.528
Number of reflections	12183	710	309
<I/σ(I)>	46.3
Completeness [%]	97.5	97.7	51.4
Redundancy	10.1	9.5	5.4
CC(1/2)	0.999		0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M calcium chloride, 0.1M HEPES buffer, 22% PEG 400