5OC2
Crystal structure of Asp295Cys/Lys303Cys 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 | 2017-05-29 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.853, 90.462, 81.307 |
| Unit cell angles | 90.00, 102.89, 90.00 |
Refinement procedure
| Resolution | 46.371 - 2.850 |
| R-factor | 0.1756 |
| Rwork | 0.172 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wct |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.230 |
| 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] | 48.820 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.165 | 0.495 |
| Number of reflections | 22860 | 3316 |
| <I/σ(I)> | 10.59 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M sodium citrate pH 5.6 14% Peg4K 5 % dimethyl sulfoxide |
