5K1W
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with trinitrophenol
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 | IMAGE PLATE |
Collection date | 2007-12-08 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.8148 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.180, 54.770, 103.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.248 - 1.600 |
R-factor | 0.1398 |
Rwork | 0.138 |
R-free | 0.16950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b5n |
RMSD bond length | 0.005 |
RMSD bond angle | 1.029 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 39489 | |
<I/σ(I)> | 24.6 | |
Completeness [%] | 98.9 | |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 295 | 1.6 M sodium citrate tribasic dihydrate pH 6.3 |