5DXN
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 2
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 | 39.843, 42.672, 80.221 |
| Unit cell angles | 90.00, 99.46, 90.00 |
Refinement procedure
| Resolution | 20.600 - 1.650 |
| R-factor | 0.2209 |
| Rwork | 0.219 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dxl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.048 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.077 | 0.058 | 0.521 |
| Rmeas | 0.091 | 0.070 | 0.658 |
| Rpim | 0.048 | 0.038 | 0.397 |
| Total number of observations | 110336 | ||
| Number of reflections | 31571 | ||
| <I/σ(I)> | 14 | ||
| Completeness [%] | 97.1 | 80.5 | 80.3 |
| Redundancy | 3.5 | 3.1 | 2.2 |
| CC(1/2) | 0.991 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES, 15% PEG20000 |
