6CDG
GID4 fragment in complex with a peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-24 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.993, 40.651, 56.717 |
| Unit cell angles | 90.00, 98.39, 90.00 |
Refinement procedure
| Resolution | 32.900 - 1.600 |
| R-factor | 0.2114 |
| Rwork | 0.209 |
| R-free | 0.24830 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | an unpublished nearly isomorphous crystal structure of GID4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.650 | 40.650 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.770 | 1.600 |
| Rmerge | 0.076 | 0.019 | 1.351 |
| Rmeas | 0.089 | 0.023 | 1.581 |
| Rpim | 0.046 | 0.013 | 0.814 |
| Total number of observations | 77760 | 464 | 3667 |
| Number of reflections | 21138 | 1008 | |
| <I/σ(I)> | 13.1 | 59.7 | 1.1 |
| Completeness [%] | 95.4 | 97.7 | 90.5 |
| Redundancy | 3.7 | 3.1 | 3.6 |
| CC(1/2) | 0.999 | 0.999 | 0.424 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350, 0.2M sodium bromide |
