5YQS
Isoprimeverose-producing enzyme from Aspergillus oryzae in complex with isoprimeverose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2016-07-14 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.787, 129.911, 95.162 |
Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.1557 |
Rwork | 0.153 |
R-free | 0.20770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.679 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.079 | 0.057 | 0.184 |
Rmeas | 0.094 | 0.066 | 0.230 |
Rpim | 0.049 | 0.032 | 0.135 |
Total number of observations | 178445 | ||
Number of reflections | 59786 | 3339 | 2657 |
<I/σ(I)> | 16.8 | ||
Completeness [%] | 90.6 | 98.5 | 81.4 |
Redundancy | 3 | 3.8 | 2.2 |
CC(1/2) | 0.993 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis-Tris pH6.5, 26% PEG MME550, 0.15M CaCl2 |