8UC4
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 56.959, 56.959, 109.781 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.480 - 1.870 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18rc7_3834) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.480 | 1.920 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmeas | 0.137 | |
Number of reflections | 15443 | 1014 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 99.2 | 90.2 |
Redundancy | 7.2 | 6.4 |
CC(1/2) | 0.996 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Well solution: 40% w/v PEG3350, 30 mM NaCl, 50 mM potassium phosphate monobasic pH 7.0 Protein Solution: 15 mg/mL protein, 20 mM Tris pH 8.0, 50 mM NaCl, 1 mM DTT, and 5% glycerol Drop: 1 uL protein solution, 1 uL well solution |