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 |