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 |