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 |