4ALM

Crystal structure of S. aureus FabI (P43212)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-06
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	87.490, 87.490, 307.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.177 - 2.450
R-factor	0.188
Rwork	0.185
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4all
RMSD bond length	0.007
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.450	2.450
Rmerge	0.090	0.780
Number of reflections	44583
<I/σ(I)>	16.4	2.8
Completeness [%]	98.9	99.8
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		1.15 M (NH4)2SO4, 0.1 M SODIUM ACETATE PH 5.0, 1% ETHANOL