3JYF
The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-18 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97954, 0.97986 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.041, 106.041, 182.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.430 |
| R-factor | 0.18171 |
| Rwork | 0.179 |
| R-free | 0.23079 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.146 | 0.767 |
| Number of reflections | 40035 | |
| <I/σ(I)> | 33.44 | 4.41 |
| Completeness [%] | 99.8 | 96.1 |
| Redundancy | 9.7 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Tris pH8.5, 2.5M Ammonium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
