7PCJ
X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex
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 | 2019-02-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.474, 70.891, 64.090 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 62.520 - 1.910 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2esl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.568 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.520 | 62.520 | 2.320 |
| High resolution limit [Å] | 1.910 | 6.970 | 2.200 |
| Rmerge | 0.191 | 0.095 | 1.206 |
| Rmeas | 0.196 | 0.098 | 1.244 |
| Rpim | 0.044 | 0.021 | 0.300 |
| Total number of observations | 12519 | 44769 | |
| Number of reflections | 28858 | 627 | 2709 |
| <I/σ(I)> | 10.9 | 22.3 | 3.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 19.7 | 20 | 16.5 |
| CC(1/2) | 0.997 | 0.997 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | Tris 0.1M, PEG 3350 15%, NaN3 3mM |
