4MKK
Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii modified by allicine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8943 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.690, 122.860, 128.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.450 |
| R-factor | 0.14 |
| Rwork | 0.138 |
| R-free | 0.17280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.227 |
| Data reduction software | PROCESS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.630 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.051 | 0.530 |
| Number of reflections | 78999 | |
| <I/σ(I)> | 12.6 | 1.48 |
| Completeness [%] | 98.8 | 92.45 |
| Redundancy | 4.63 | 4.03 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 303 | 5% MMEPEG 2000, 50MM TRIS-HCl, 0.2MM PLP, 0.25% DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 303.0K |
