4CZS
Discovery of Glycomimetic Ligands via Genetically-encoded Library of Phage displaying Mannose-peptides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.995, 62.761, 124.827 |
| Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
| Resolution | 45.489 - 1.730 |
| R-factor | 0.1939 |
| Rwork | 0.192 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.060 | 0.470 |
| Number of reflections | 95003 | |
| <I/σ(I)> | 11.87 | 2.3 |
| Completeness [%] | 98.4 | 97.1 |
| Redundancy | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
