6YQ7
Taka-amylase
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 | 2018-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.230, 103.113, 75.229 |
| Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
| Resolution | 59.650 - 1.580 |
| R-factor | 0.1658 |
| Rwork | 0.165 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7taa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.698 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.650 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 129880 | 6335 |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 98.4 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.990 | 0.730 |
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 |
