3SJ4
PpcA mutant M58K
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 | 2003-08-03 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 32.500, 32.500, 177.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.1894 |
| Rwork | 0.186 |
| R-free | 0.22205 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1os6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.493 |
| 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] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.246 |
| Number of reflections | 13662 | |
| <I/σ(I)> | 34 | 6 |
| Completeness [%] | 95.0 | 72.3 |
| Redundancy | 6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 298 | 4M Ammonium Sulfate 0.25% Deoxycholic Acid, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
