5DXO
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2015-07-31 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.963, 76.787, 83.686 |
| Unit cell angles | 90.00, 94.35, 90.00 |
Refinement procedure
| Resolution | 31.768 - 1.900 |
| R-factor | 0.2089 |
| Rwork | 0.207 |
| R-free | 0.24990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dxl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.056 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.070 | 0.061 | 0.568 |
| Rmeas | 0.082 | 0.073 | 0.673 |
| Rpim | 0.042 | 0.038 | 0.357 |
| Total number of observations | 166375 | ||
| Number of reflections | 44707 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 99.2 | 85.6 | 100 |
| Redundancy | 3.7 | 3.5 | 3.5 |
| CC(1/2) | 0.989 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 12% PEG3350 |
