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 |