5OC3
Crystal structure of Ser67Cys/Pro121Cys Amadoriase I mutant from Aspergillus Fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.157, 83.081, 175.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.886 - 2.153 |
| R-factor | 0.1413 |
| Rwork | 0.139 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wct |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.173 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.886 | 2.270 |
| High resolution limit [Å] | 2.153 | 2.153 |
| Rmerge | 0.094 | 0.311 |
| Number of reflections | 56549 | 8145 |
| <I/σ(I)> | 15.95 | 6.3 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M sodium citrate pH 5.6 14% PEG4K 15 % isopropanol |
