6XSJ
X-ray structure of a monoclinic form of alpha amylase from Aspergillus at 1.4 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2019-02-21 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.983, 95.189, 74.988 |
| Unit cell angles | 90.00, 103.51, 90.00 |
Refinement procedure
| Resolution | 72.910 - 1.400 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2taa |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.430 |
| Rmerge | 0.158 | |
| Rmeas | 0.163 | |
| Rpim | 0.036 | |
| Number of reflections | 307462 | 15076 |
| <I/σ(I)> | 9.1 | 0.4 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 19.5 | 13.3 |
| CC(1/2) | 0.998 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Crystallized by sitting drop in Cryschem plates using 0.6 ml reservoirs of 20% PEG 3350 in 0.10 M MES buffer. 8 ul Drops composed of equal amounts of enzyme in water at 30 mg/ml and the reservoir solution |
