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 |