4AWS
Crystal structure of the oxidized Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.560, 83.900, 87.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.000 |
| R-factor | 0.1155 |
| R-free | 0.13520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gou |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.004 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.060 | 0.510 |
| Number of reflections | 192252 | |
| <I/σ(I)> | 13.4 | 3.2 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100 MM TRIS PH 8.2, 1.65 M (NH4)2SO4, 2 % PEG400 AND 0.25 % (W/V) BETA-OCTYL GLUCOSIDE |
