6TJK
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.744, 156.222, 68.264 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 66.742 - 1.560 |
| Rwork | 0.165 |
| R-free | 0.19850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q6k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.588 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.742 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.105 | 1.670 |
| Rpim | 0.057 | 0.901 |
| Number of reflections | 147746 | 7162 |
| <I/σ(I)> | 7.4 | 0.7 |
| Completeness [%] | 99.4 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.987 | 0.336 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Na2SO4, 14% (v/v) PEG3350, 0.1 M bis-tris-propane pH 7.0 |
