1MCI
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Experimental procedure
| Source type | SYNCHROTRON |
| Synchrotron site | Photon Factory |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.300, 72.300, 185.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.700 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.027 |
| Phasing software | X-PLOR |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 15.000 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 6067 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.2 * | THIS COMPLEX WAS PREPARED BY DIFFUSION OF THE PEPTIDE INTO A CRYSTAL OF THE DIMER |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | sodium pshosphate | 0.2 (M) | |
| 2 | 1 | 1 | protein | 23 (mg/ml) | |
| 3 | 1 | 1 | ammonium sulfate | 1.6-1.9 (M) |
