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 |