1GMO
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 PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-02-17 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 179.700, 174.100, 59.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.254 |
Rwork | 0.254 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1NK1 AND 1BHT |
RMSD bond length | 0.009 |
RMSD bond angle | 24.700 * |
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 | 3.020 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.063 | 0.327 |
Number of reflections | 37651 | |
<I/σ(I)> | 12 | |
Completeness [%] | 95.2 | 91.4 |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 * | 10% PEG4000, 8% ETHYLENE GLYCOL, 0.10M SODIUM PARA-TOLUENE SULFONATE,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 p-toluene sulfonate | 0.1 (M) |