3U7L

Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-26
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9722
Spacegroup name	C 2 2 21
Unit cell lengths	94.781, 120.209, 47.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.010
R-factor	0.20828
Rwork	0.207
R-free	0.23593
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q1y
RMSD bond length	0.010
RMSD bond angle	1.357
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	18445
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	23%(w/v) PEG 4000, 50mM Tris-HCl, 15%(v/v) glycerol, 100mM MgCl2, 20mM CaCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K