5CFZ

Crystal structure of E. coli FabI in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95370
Spacegroup name	P 61 2 2
Unit cell lengths	80.152, 80.152, 323.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.900 - 1.970
R-factor	0.19225
Rwork	0.190
R-free	0.22505
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QSG.pdb (model's residues were truncated to polyalanine and ligands were removed)
RMSD bond length	0.020
RMSD bond angle	2.011
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.903	38.903	2.080
High resolution limit [Å]	1.969	6.230	1.969
Rmerge		0.026	0.162
Rmeas	0.061
Rpim	0.017	0.008	0.054
Total number of observations	523117	17951	56136
Number of reflections	44807
<I/σ(I)>	26.6	45.2	10.1
Completeness [%]	99.4	99.6	96.2
Redundancy	11.7	10.6	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M citrate pH 7.0, 0.1M ammonium sulfate, 22%w/v PEG 2000