6YMN
Crystal structure of the Diels Alderase AbmU from Streptomyces koyangensis
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9197 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.128, 64.998, 97.865 |
| Unit cell angles | 90.00, 93.81, 90.00 |
Refinement procedure
| Resolution | 56.440 - 2.050 |
| Rwork | 0.189 |
| R-free | 0.24270 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.638 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | CRANK2 (2.0.229) |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.440 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.178 | 1.502 |
| Rpim | 0.043 | 0.681 |
| Number of reflections | 52059 | 2522 |
| <I/σ(I)> | 12.25 | |
| Completeness [%] | 99.8 | 97.4 |
| Redundancy | 18.8 | |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 0.2 M Na acetate, 0.1 M Na cacodylate, 32% PEG 8000 |
