5NIS
Neutral trehalase Nth1 from Saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-15 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 187.308, 187.308, 119.973 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.296 - 3.155 |
R-factor | 0.2007 |
Rwork | 0.198 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jta |
RMSD bond length | 0.010 |
RMSD bond angle | 1.151 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 3.268 |
High resolution limit [Å] | 3.155 | 3.155 |
Rmerge | 0.328 | 1.698 |
Number of reflections | 21792 | 2110 |
<I/σ(I)> | 11.69 | |
Completeness [%] | 99.5 | 97.91 |
Redundancy | 21.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 291 | 100 mM sodium citrate, 1 M lithium sulphate, and 400 mM ammonium sulphate |