1OD7
N-terminal of Sialoadhesin in complex with Me-a-9-N-(naphthyl-2-carbonyl)-amino-9-deoxy-Neu5Ac (NAP compound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.866, 64.866, 64.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.540 - 3.000 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DOMAIN A OF PDB ENTRY 1QFO |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.000 * |
| 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] | 25.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.240 | 0.506 * |
| Total number of observations | 29346 * | |
| Number of reflections | 3047 | |
| <I/σ(I)> | 8.4 | 2.1 |
| Completeness [%] | 97.0 | 72.5 |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.6 | 17 * | 30 % (W/V) PEG 4000, 10 MM DTT, 0.1M SODIUM HEPES PH 5.6,25MM NAP COMPOUND |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | NAP | 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 acetate | 0.2 (M) | |
| 6 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
| 7 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |
