1NY1
CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 65 |
Unit cell lengths | 88.112, 88.112, 120.645 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.700 - 1.800 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.21200 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.044 | |
Number of reflections | 87098 | |
<I/σ(I)> | 14.5 | 2.96 |
Completeness [%] | 97.2 | |
Redundancy | 2.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 283 | 20% PEG3350, 200mM di-ammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 283K |