3SJ0
PpcA mutant M58S
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 | 32.400, 32.400, 178.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.19275 |
| Rwork | 0.190 |
| R-free | 0.21983 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1os6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.542 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.041 | 0.072 |
| Number of reflections | 6265 | |
| <I/σ(I)> | 5 | 16 |
| Completeness [%] | 93.8 | 70.6 |
| Redundancy | 7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 3.8 M Ammonium Sulfate 0.25% Deoxycholic Acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
