3SEL
PpcA M58N 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 | 2003-12-18 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 32.420, 32.420, 177.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.18043 |
| Rwork | 0.176 |
| R-free | 0.22289 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1os6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.639 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.055 | 0.130 |
| Number of reflections | 5945 | |
| <I/σ(I)> | 55 | 17.9 |
| Completeness [%] | 95.0 | 70 |
| Redundancy | 11 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 4.0 M AMMONIUM SULFATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
