6NV8
Perdeuterated tyrosine phenol-lyase from Citrobacter freundii complexed with an aminoacrylate intermediate formed from S-ethyl-L-cysteine and 4-hydroxypyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 59.350, 143.110, 133.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.450 - 2.260 |
R-factor | 0.1732 |
Rwork | 0.172 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vlf |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.450 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.084 | 2.155 |
Rmeas | 0.092 | 2.356 |
Rpim | 0.036 | 0.943 |
Number of reflections | 54045 | 5325 |
<I/σ(I)> | 12.88 | 0.69 |
Completeness [%] | 99.8 | 99.83 |
Redundancy | 6.5 | 6.1 |
CC(1/2) | 0.999 | 0.330 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.05 M triethanolamine hydrochloride, pH 8.0, 0.2 M KCl, 1 mM DTT, 0.5 mM pyridoxal-5'-phosphate, 40% PEG 5000 MME |