4KAV

Crystal Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97884, 0.9686
Spacegroup name	P 1
Unit cell lengths	43.696, 44.923, 50.179
Unit cell angles	70.26, 69.36, 61.13

Refinement procedure

Resolution	19.255 - 1.433
R-factor	0.1178
Rwork	0.116
R-free	0.15650
Structure solution method	MAD
RMSD bond length	0.026
RMSD bond angle	1.411
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.260	1.510
High resolution limit [Å]	1.433	4.530	1.430
Rmerge	0.078
Number of reflections	49289
<I/σ(I)>	18.1
Completeness [%]	92.2	98.1	66.6
Redundancy	7.5

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), pH 7.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K