2OMW
Crystal structure of InlA S192N Y369S/mEC1 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 1 21 1 |
Unit cell lengths | 55.510, 112.281, 55.941 |
Unit cell angles | 90.00, 101.53, 90.00 |
Refinement procedure
Resolution | 110.430 - 1.850 |
R-factor | 0.16696 |
Rwork | 0.165 |
R-free | 0.20744 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o6s |
RMSD bond length | 0.016 |
RMSD bond angle | 1.707 |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.070 | 0.035 | 0.327 |
Number of reflections | 53338 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 94.4 | 99.7 | 85.1 |
Redundancy | 2.5 | 2.8 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | PEG 6000, LiCl, Na-Citrate, pH 5.2, vapor diffusion, hanging drop, temperature 298K |