5M3Z
Crystal structure of Citrobacter freundii methionine gamma-lyase with C115H replacement in the complex with L-norleucine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.513, 123.019, 127.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.560 - 1.450 |
| R-factor | 0.13033 |
| Rwork | 0.128 |
| R-free | 0.16934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfv |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.833 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.054 | 0.800 |
| Number of reflections | 78132 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 99.1 | 95.1 |
| Redundancy | 4.4 | 4.2 |
| CC(1/2) | 0.999 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | MGL 20mg/ml, PEG MME 2000 37.5%, 50 ml TrisHCl, 25mM DTT, 0.2 mM PLP |
