4ALN

Crystal structure of S. aureus FabI (P32)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-02-05
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 32
Unit cell lengths	123.780, 123.780, 190.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.280 - 3.050
R-factor	0.20509
Rwork	0.203
R-free	0.24554
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4all
RMSD bond length	0.015
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.050	3.050
Rmerge	0.120	0.500
Number of reflections	61623
<I/σ(I)>	6.76	2.12
Completeness [%]	99.3	99.7
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.61 M NH4H2PO4, 9% T-BUTANOL, 0.01 M EDTA PH 7.0