4HB6
Crystal structure of PpcA K22E 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 | 2004-04-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 32.350, 32.350, 178.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.19507 |
| Rwork | 0.191 |
| R-free | 0.23185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1os6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.495 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.069 | 0.369 |
| Number of reflections | 8569 | |
| <I/σ(I)> | 47.5 | 6.9 |
| Completeness [%] | 97.0 | 88.8 |
| Redundancy | 9.7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 3.7 M ammonium sulfate pH adjusted to 6.0 with ammonium hydroxide; 0.25% deoxycholate in the drop, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
