6ZXR
Crystal structure of the KDEL receptor bound to RDEL peptide at pH 6.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980109 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.520, 37.450, 62.650 |
| Unit cell angles | 90.00, 95.11, 90.00 |
Refinement procedure
| Resolution | 47.330 - 2.310 |
| R-factor | 0.2026 |
| Rwork | 0.200 |
| R-free | 0.25670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i6h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.423 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.330 | 47.330 | 2.370 |
| High resolution limit [Å] | 2.310 | 10.340 | 2.310 |
| Rmerge | 0.176 | 0.048 | 1.506 |
| Rmeas | 0.192 | 0.054 | 1.654 |
| Rpim | 0.074 | 0.023 | 0.671 |
| Total number of observations | 65692 | 674 | 4034 |
| Number of reflections | 9815 | 125 | 691 |
| <I/σ(I)> | 8 | 28.4 | 0.9 |
| Completeness [%] | 99.5 | 98.1 | 93.6 |
| Redundancy | 6.7 | 5.4 | 5.8 |
| CC(1/2) | 0.996 | 0.998 | 0.257 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 292 | 30% PEG 600, 0.1M MES pH 6.0, 0.1M Sodium Nitrate |
