2HKD
The crystal structure of engineered OSPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9718 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.199, 76.561, 121.312 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.19841 |
| Rwork | 0.196 |
| R-free | 0.23747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g8c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.444 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.157 | 0.710 |
| Number of reflections | 44499 | |
| <I/σ(I)> | 2.12 | |
| Completeness [%] | 96.6 | 93.3 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 31%PEG400, 100mM Tris-HCl pH9.0, 2%MPD , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
