1OD9
N-terminal of Sialoadhesin in complex with Me-a-9-N-benzoyl-amino-9-deoxy-Neu5Ac (BENZ compound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.860, 67.860, 69.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.720 - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DOMAIN A OF PDB ENTRY 1QFO |
| RMSD bond length | 0.011 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.722 * |
| Total number of observations | 116504 * | |
| Number of reflections | 9849 | |
| <I/σ(I)> | 23.4 | 2.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 17 * | 1+1 DROP WITH 22.5 % (W/V) PEG 4000, 10 MM DTT, 0.18M AMMONIUM SULFATE, 0.09M SODIUM ACETATE PH 4.6,25MM BENZ COMPOUND |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | BENZ | 25 (mM) | |
| 2 | 1 | drop | protein | 10 (mg/ml) | |
| 3 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.18 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.09 (M) | pH4.6 |
| 7 | 1 | reservoir | PEG4000 | 22.5 (%(w/v)) |
