2OMV
Crystal structure of InlA S192N Y369S/hEC1 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.95 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.373, 87.377, 110.955 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.157 |
Rwork | 0.153 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o6s |
RMSD bond length | 0.021 |
RMSD bond angle | 1.696 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR (2.5) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.085 | 0.038 | 0.422 |
Number of reflections | 42046 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 97.3 | 99.8 | 85.8 |
Redundancy | 4.9 | 5.2 | 4.2 |
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 |