5DXL
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2015-08-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97918 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 45.383, 65.472, 118.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.030 - 1.573 |
R-factor | 0.2015 |
Rwork | 0.200 |
R-free | 0.22960 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.007 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.600 |
High resolution limit [Å] | 1.570 | 4.260 | 1.570 |
Rmerge | 0.108 | 0.081 | 0.637 |
Rmeas | 0.112 | 0.084 | 0.665 |
Rpim | 0.029 | 0.022 | 0.192 |
Total number of observations | 718057 | ||
Number of reflections | 49890 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 99.1 | 99.6 | 82.6 |
Redundancy | 14.4 | 13.8 | 11.7 |
CC(1/2) | 0.997 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M sodium citrate, 16% PEG8000 |