1GMN
CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 86.560, 86.560, 117.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.000 - 2.300 |
| R-factor | 0.262 |
| Rwork | 0.262 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1NK1 AND 1BHT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.600 * |
| 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] | 21.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 * | 0.375 * |
| Number of reflections | 20349 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 * | 10% PEG8000, 8% ETHYLENE GLYCOL, 0.55M SODIUM DIHYDROGEN PHOSPHATE 0.10M SODIUM HEPES, PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 0.05 (M) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | protein | 15 (mg/ml) | |
| 4 | 1 | reservoir | PEG8000 | 10 (%) | |
| 5 | 1 | reservoir | ethylene glycol | 8 (%) | |
| 6 | 1 | reservoir | sodium HEPES | 0.1 (M) | |
| 7 | 1 | reservoir | sodium dihydrogen phosphate | 0.55 (M) |
