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 |