3DRK
Crystal structure of Lactococcal OppA co-crystallized with Neuropeptide S in an open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-22 |
| Detector | ADSC Q210 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.622, 123.126, 59.281 |
| Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
| Resolution | 32.770 - 1.800 |
| R-factor | 0.19693 |
| Rwork | 0.194 |
| R-free | 0.24810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3drf |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.238 |
| Data reduction software | MOSFLM |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.180 | 1.810 | |
| High resolution limit [Å] | 1.700 | 5.070 | 1.700 |
| Rmerge | 0.059 | 0.029 | 0.405 |
| Number of reflections | 54564 | 2189 | 7505 |
| <I/σ(I)> | 11.01 | 27.9 | 2 |
| Completeness [%] | 90.1 | 93.4 | 76.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2M NaCl, 0.1M Na-Hepes, 20% PEG 6000, pH 7.0, vapor diffusion, hanging drop, temperature 293K |
