4IPJ

Crystal Structure of R314K N-acetyl Neuraminic Acid Synthase from Neiserria meningitidis with Malate bound

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	2011-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95369
Spacegroup name	P 21 21 2
Unit cell lengths	58.230, 76.050, 77.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.150 - 2.150
R-factor	0.18075
Rwork	0.174
R-free	0.24229
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xuz
RMSD bond length	0.014
RMSD bond angle	1.370
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.150	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.137	0.405
Number of reflections	19363
<I/σ(I)>	15.9	7.3
Completeness [%]	100.0	100
Redundancy	13.5	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298.15	1.9 M malic acid, 10 mM magnesium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K