3EC5
The crystal structure of Thioflavin-T (ThT) binding OspA mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.073, 35.876, 92.606 |
| Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.22808 |
| Rwork | 0.223 |
| R-free | 0.27388 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oy7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.504 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.087 | 0.663 |
| Number of reflections | 34301 | |
| <I/σ(I)> | 1.74 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 40% PEG-400, 2% glycerol, 0.85M Tris-Cl, 0.25M (NH4)2SO4, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
