6YQA
Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor
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 | 2019-03-07 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.684, 103.320, 75.508 |
| Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
| Resolution | 73.427 - 1.670 |
| Rwork | 0.172 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7taa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.667 |
| 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] | 103.320 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 113249 | 5574 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.997 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate pH 5.6, 18% (v/v) 2-propanol |
