4AWT
Crystal structure of the reduced Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.321, 83.749, 87.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.980 |
| R-factor | 0.0953 |
| R-free | 0.10630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aws |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.001 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.000 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.050 | 0.530 |
| Number of reflections | 202572 | |
| <I/σ(I)> | 24.5 | 3.9 |
| Completeness [%] | 99.0 | 95.1 |
| Redundancy | 4.5 | 3.7 |
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 |
