2G6W
Suicide inhibition of a-Oxamine Synthase: Structures of the Covalent Adducts of 8-Amino-7-oxonanoate Synthase with trifluoroalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, Hamburg |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 0.9076 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 58.670, 58.670, 198.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.410 - 2.140 |
R-factor | 0.17856 |
Rwork | 0.176 |
R-free | 0.24642 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 2.011 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.106 | |
Number of reflections | 22100 | |
<I/σ(I)> | 8.4 | |
Completeness [%] | 99.9 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | 0.2M AMMONIUM SULPHATE, 200MM BIS-TRIS, pH 7.0, EVAPORATION, temperature 298K |