2OMX
Crystal structure of InlA S192N G194S+S/hEC1 complex
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 | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81 |
Spacegroup name | P 1 |
Unit cell lengths | 44.887, 54.160, 68.811 |
Unit cell angles | 74.75, 80.69, 67.71 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.16973 |
Rwork | 0.167 |
R-free | 0.22323 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o6s |
RMSD bond length | 0.024 |
RMSD bond angle | 1.971 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.092 | 0.036 | 0.715 |
Number of reflections | 62497 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 90.7 | 99.6 | 64.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | PEG 4000, CaCl2, Na-Acetate, Tris/MES, pH 6.0, vapor diffusion, hanging drop, temperature 298K |