1P9H
CRYSTAL STRUCTURE OF THE COLLAGEN-BINDING DOMAIN OF YERSINIA ADHESIN YadA
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 |
Collection date | 2000-06-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.91020 |
Spacegroup name | H 3 2 |
Unit cell lengths | 67.050, 67.050, 221.953 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 1.550 |
Rwork | 0.196 |
R-free | 0.20400 * |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.384 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.044 * | 0.429 |
Total number of observations | 355936 * | |
Number of reflections | 32335 * | 2683 * |
<I/σ(I)> | 24 | 4.5 |
Completeness [%] | 99.8 * | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 * | 298 | PEG 8000, sodium acetate, sodium-cacotylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 11 (%) | |
2 | 1 | reservoir | sodium acetate | 0.2 (M) | |
3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH6.7 |