3JQY
Crystal Structure of the polySia specific acetyltransferase NeuO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-14 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9028 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.833, 88.366, 72.996 |
| Unit cell angles | 90.00, 106.62, 90.00 |
Refinement procedure
| Resolution | 37.355 - 1.699 |
| R-factor | 0.1672 |
| Rwork | 0.166 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | A MR model was generated by homology modelling using the PHYRE Webserver |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.921 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.010 | |
| High resolution limit [Å] | 1.699 | 1.699 |
| Rmerge | 0.064 | 0.474 |
| Number of reflections | 83894 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 9.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 0.1M Tris, 0.45M Glycine, 0.2M NH4NO3; 7% PEG 40000(w/v), pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
