5HWF

The structural and biochemical characterization of acyl-coa hydrolase mutant Asn28Ala from Staphylococcus aureus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 63 2 2
Unit cell lengths	127.310, 127.310, 55.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.660 - 2.500
R-factor	0.24321
Rwork	0.242
R-free	0.27584
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ncp
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.830	2.600
High resolution limit [Å]	2.500	2.500
Rmerge		0.192
Number of reflections	9615
<I/σ(I)>	8.7
Completeness [%]	99.9
Redundancy	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	0.1M Sodium HEPES pH7.5, 0.8 M sodium phosphate monobasic