3JW9
Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with S-ethyl-cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.843 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.490, 122.870, 127.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.1681 |
Rwork | 0.167 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rfv |
RMSD bond length | 0.005 |
RMSD bond angle | 0.987 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.4_4)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.052 | 0.342 |
Number of reflections | 40626 | |
<I/σ(I)> | 18.83 | 3.63 |
Completeness [%] | 96.3 | 92.4 |
Redundancy | 3.6 | 3.35 |
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 303K |