4AWU
Crystal structure of the oxidized Shewanella Yellow Enzyme 1 (SYE1) M25L mutant in complex with para-chlorophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.820, 83.670, 87.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.997 - 1.690 |
R-factor | 0.1704 |
Rwork | 0.169 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aws |
RMSD bond length | 0.004 |
RMSD bond angle | 0.901 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.680 |
Number of reflections | 40083 | |
<I/σ(I)> | 16 | 2.8 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5 | 5 |
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 |