7OYE
Crystal structure of the KDEL receptor bound to HDEL peptide at pH 7.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9698 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.020, 38.030, 62.510 |
| Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
| Resolution | 36.290 - 2.620 |
| R-factor | 0.2356 |
| Rwork | 0.234 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i6h |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.880 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (20-APR-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.030 | 38.030 | 2.690 |
| High resolution limit [Å] | 2.620 | 11.720 | 2.620 |
| Rmerge | 0.149 | 0.073 | 0.997 |
| Rmeas | 0.179 | 0.090 | 1.204 |
| Rpim | 0.098 | 0.053 | 0.668 |
| Total number of observations | 21309 | 231 | 1574 |
| Number of reflections | 6860 | 90 | 504 |
| <I/σ(I)> | 5.6 | 12.4 | 1.4 |
| Completeness [%] | 98.4 | 96 | 98.9 |
| Redundancy | 3.1 | 2.6 | 3.1 |
| CC(1/2) | 0.987 | 0.986 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7 | 298 | 30% PEG 500DME 100mM HEPES pH 7.0 100mM Potassium thiocyanate |
