7F2J
Crystal structure of AtFKBP53 FKBD in complex with rapamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-01 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.301, 73.949, 61.950 |
| Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
| Resolution | 47.010 - 1.600 |
| R-factor | 0.17814 |
| Rwork | 0.177 |
| R-free | 0.20668 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j2m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.417 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.010 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.063 | 0.541 |
| Number of reflections | 32798 | 1594 |
| <I/σ(I)> | 11 | 2.3 |
| Completeness [%] | 99.2 | 98.6 |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.998 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2 M Lithium sulfate monohydrate, 0.1 M Bis-Tris (pH 6.5), 25% w/v PEG 3350 |
