5KZE

N-acetylneuraminate lyase from methicillin-resistant 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]	110
Detector technology	CCD
Collection date	2011-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	80.110, 130.540, 108.520
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	32.223 - 1.740
R-factor	0.1444
Rwork	0.141
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6p
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.223	32.223	1.830
High resolution limit [Å]	1.740	5.500	1.740
Rmerge		0.030	0.296
Number of reflections	213902
<I/σ(I)>	15.9	17.8	2.6
Completeness [%]	94.0	92.1	88.6
Redundancy	3.6	3.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	PEG 3350, ammonium sulfate, Bis Tris