3I0U
Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97929 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 62.125, 62.125, 239.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.940 - 2.700 |
R-factor | 0.25158 |
Rwork | 0.250 |
R-free | 0.28726 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.713 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.057 | 0.426 |
Number of reflections | 13771 | |
<I/σ(I)> | 48.01 | 7.14 |
Completeness [%] | 99.8 | 100 |
Redundancy | 13.1 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 10% isopropanol, 20% PEG4K, 1% PEG6K, 0.5% 2-methyl-2,4-pentanediol, 0.1 M HEPES pH 7.5. Cryoprotected in Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 10% isopropanol, 20% PEG4K, 1% PEG6K, 0.5% 2-methyl-2,4-pentanediol, 0.1 M HEPES pH 7.5. Cryoprotected in Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
2 |