5HWV
Crystal structure of PAS1 complexed with toluene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2012-07-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.359, 47.755, 126.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.650 |
| R-factor | 0.18183 |
| Rwork | 0.179 |
| R-free | 0.23087 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.650 |
| Number of reflections | 30287 |
| <I/σ(I)> | 48.62 |
| Completeness [%] | 97.9 |
| Redundancy | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294.15 | 3.0 M ammonium phosphate trihydrate, 0.1 M Tris-HCl |
