7U0T
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-10 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.100, 33.300, 64.350 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 31.670 - 2.450 |
R-factor | 0.2161 |
Rwork | 0.211 |
R-free | 0.26040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tco |
RMSD bond length | 0.002 |
RMSD bond angle | 0.512 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (v1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.670 | 31.670 | 2.510 |
High resolution limit [Å] | 2.450 | 10.960 | 2.450 |
Rmerge | 0.071 | 0.026 | 0.370 |
Rmeas | 0.084 | 0.031 | 0.458 |
Total number of observations | 42156 | ||
Number of reflections | 11961 | 146 | 757 |
<I/σ(I)> | 13.22 | 32.85 | 2.64 |
Completeness [%] | 97.8 | 90.7 | 85 |
Redundancy | 3.524 | 3.041 | 2.683 |
CC(1/2) | 0.997 | 0.998 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 287 | Microlytics MCSG-1 C5: 0.2M Magnesium Acetate, 20% PEG 3,350, HosaA.18272.a.TM11.PD38439 at 20mg/ml + FK-520 (Purified from SEC): cryo: 20% ethylene glycol: tray 318701c5, puck oxo8-2 |