5C9B
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9825 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 101.985, 101.985, 127.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.370 - 2.400 |
| R-factor | 0.20206 |
| Rwork | 0.199 |
| R-free | 0.26222 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.819 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.054 | 0.419 |
| Number of reflections | 28761 | |
| <I/σ(I)> | 31.27 | 2.67 |
| Completeness [%] | 87.6 | 33.6 |
| Redundancy | 5.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 24% PEG4000, 0.2 M lithium sulfate, pH 5.8 |
