6CD8
Complex of GID4 fragment with 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 65 2 2 |
| Unit cell lengths | 63.941, 63.941, 289.593 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.200 - 1.600 |
| R-factor | 0.1982 |
| Rwork | 0.197 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | early version of PDB entry 6ccr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.619 |
| 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] | 48.270 | 48.270 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.610 | 1.600 |
| Rmerge | 0.059 | 0.035 | 1.638 |
| Rmeas | 0.061 | 0.036 | 1.681 |
| Rpim | 0.014 | 0.009 | 0.373 |
| Total number of observations | 915253 | 6404 | 47104 |
| Number of reflections | 47911 | 2379 | |
| <I/σ(I)> | 26.9 | 76 | 2 |
| Completeness [%] | 100.0 | 99.5 | 99.7 |
| Redundancy | 19.1 | 14.9 | 19.8 |
| CC(1/2) | 1.000 | 1.000 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30% PEG2000 and 0.1M KSCN |
