4B5N
Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4)
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 | 52.230, 54.810, 103.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.442 - 1.100 |
R-factor | 0.1272 |
Rwork | 0.127 |
R-free | 0.14050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gou |
RMSD bond length | 0.009 |
RMSD bond angle | 1.426 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.200 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.050 | 0.340 |
Number of reflections | 120389 | |
<I/σ(I)> | 18.3 | 4.9 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.5 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.3 | 1.6M SODIUM CITRATE TRIBASIC DIHYDRATE, PH 6.3 |