6I6H
Crystal structure of the KDEL receptor in the peptide bound state
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 | 2018-07-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.968 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.871, 37.503, 62.750 |
Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
Resolution | 47.660 - 2.000 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i6b |
RMSD bond length | 0.010 |
RMSD bond angle | 0.890 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.660 | 47.600 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.282 | 0.083 | 2.588 |
Rmeas | 0.298 | 0.089 | 2.742 |
Rpim | 0.096 | 0.031 | 0.895 |
Number of reflections | 15192 | 193 | 1096 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 9.5 | 8.2 | 9.1 |
CC(1/2) | 0.992 | 0.990 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6 | 293 | 30% (v/v) PEG 600, 100 mM MES pH 6.0, 100 mM Sodium Nitrate. |