1XFS
X-Ray Crystal Structure of Protein NE0264 from Nitrosomonas europaea. Northeast Structural Genomics Consortium Target NeR5.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97902 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.390, 63.197, 65.514 |
Unit cell angles | 90.00, 97.87, 90.00 |
Refinement procedure
Resolution | 27.790 - 1.700 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.25500 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.790 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.033 | 0.078 |
Number of reflections | 71306 | |
<I/σ(I)> | 41.6 | 14.8 |
Completeness [%] | 93.3 | 92.5 |
Redundancy | 4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM Cacodylate Acid (pH 6.5), 20%PEG3350, 200mM ammonium Citrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |