4KAY

Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis - complex with Zn

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	2011-06-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	85.068, 90.517, 91.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.799 - 1.781
R-factor	0.1514
Rwork	0.149
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kav
RMSD bond length	0.015
RMSD bond angle	1.523
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	1.880
High resolution limit [Å]	1.780	5.630	1.780
Rmerge	0.078
Number of reflections	67558
Completeness [%]	99.2	97.7	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23-26% PEG 8K, 100 mM ammonium sulfate, 100 mM HEPES, 15 mM n-dodecyl-N,N-dimethylamine- N-oxide (DDAO), VAPOR DIFFUSION, HANGING DROP, temperature 293K