7CIJ
Crystal structure of L-methionine decarboxylase from Streptomyces sp.590 in complexed with 3-methlythiopropylamine (external aldimine form).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-25 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.176, 147.495, 54.065 |
Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.610 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.20287 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cif |
RMSD bond length | 0.011 |
RMSD bond angle | 1.526 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.090 | 0.733 |
Rpim | 0.113 | 0.914 |
Number of reflections | 122379 | 38998 |
<I/σ(I)> | 6.9 | 1.3 |
Completeness [%] | 98.2 | 97.4 |
Redundancy | 2.6 | 2.6 |
CC(1/2) | 0.993 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M MMT buffer pH 6.0, 23.5 % (w/v) PEG1500 |