3HRQ
The Product Template Domain from PksA with palmitate bound
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98, 0.96482, 0.98025 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.793, 91.247, 91.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.080 - 1.800 |
| Rwork | 0.203 |
| R-free | 0.22300 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.281 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.049 | 0.022 | 0.408 |
| Number of reflections | 69471 | ||
| <I/σ(I)> | 43.697 | ||
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 7.4 | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.22 M Ammonium Acetate, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, temperature 298K |
