3G0Y

Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	76.032, 76.032, 147.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.940 - 2.600
R-factor	0.1811
Rwork	0.178
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gfx
RMSD bond length	0.011
RMSD bond angle	1.406
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.089	0.044	0.484
Number of reflections	15631
<I/σ(I)>	22.874
Completeness [%]	99.0	95.8	96.8
Redundancy	7	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	19-24% PEG 8000, 0.1M Tris, 10mM BME, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K