6CCU
Complex between a GID4 fragment and a short peptide
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 | PIXEL |
| Collection date | 2017-08-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.045, 43.669, 99.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | early version of model from PDB entry 6CCR |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.670 | 43.670 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.071 | 0.029 | 1.788 |
| Rmeas | 0.078 | 0.033 | 1.942 |
| Rpim | 0.031 | 0.014 | 0.751 |
| Total number of observations | 128263 | 945 | 6820 |
| Number of reflections | 20007 | 1044 | |
| <I/σ(I)> | 14.7 | 49.2 | 1.1 |
| Completeness [%] | 99.9 | 99.6 | 99.2 |
| Redundancy | 6.4 | 5.4 | 6.5 |
| CC(1/2) | 0.999 | 0.999 | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350 and 0.03M Citric acid |
