3SJ1
PpcA M58D mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-14 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 32.492, 32.492, 176.956 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.18964 |
| Rwork | 0.187 |
| R-free | 0.21503 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1os6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.499 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.094 |
| Number of reflections | 7816 | |
| <I/σ(I)> | 41 | 8 |
| Completeness [%] | 94.2 | 72.5 |
| Redundancy | 7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 3.6 M Ammonium Sulfate 0.25% deoxycholic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
