5C9D
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
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 | 2014-04-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 105.290, 105.290, 90.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.850 - 2.590 |
| R-factor | 0.23092 |
| Rwork | 0.227 |
| R-free | 0.29768 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.707 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.630 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.065 | 0.457 |
| Number of reflections | 7658 | |
| <I/σ(I)> | 21.4 | 3.16 |
| Completeness [%] | 92.5 | 73.1 |
| Redundancy | 4.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.2 M DL-malic acid, pH 7.0, 2% 1,2-propanol |
