6MQQ
Citrobacter freundii F448A mutant tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from S-ethyl-L-cysteine
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 | 2018-03-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 59.560, 133.850, 144.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.960 - 2.050 |
| R-factor | 0.1763 |
| Rwork | 0.176 |
| R-free | 0.19670 |
| 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] | 45.960 | 2.123 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.103 | 3.758 |
| Rmeas | 0.107 | 3.900 |
| Rpim | 0.029 | 1.034 |
| Number of reflections | 73245 | 7242 |
| <I/σ(I)> | 14.49 | |
| Completeness [%] | 99.8 | 99.72 |
| Redundancy | 13.4 | 13.9 |
| CC(1/2) | 0.999 | 0.243 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.05 M Triethanolamine-HCl, pH 8.0, 0.2 M KCl, 0.5 mM PLP, 1 mM DTT |
