6KH3
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.4938 |
Spacegroup name | P 4 3 2 |
Unit cell lengths | 118.941, 118.941, 118.941 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.647 - 2.300 |
R-factor | 0.163 |
Rwork | 0.158 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a4u |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.226 | 0.135 | 1.550 |
Rmeas | 0.232 | 0.138 | 1.586 |
Rpim | 0.049 | 0.031 | 0.334 |
Number of reflections | 24213 | 1480 | 1305 |
<I/σ(I)> | 6.9 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 22.3 | 20 | 22.2 |
CC(1/2) | 0.996 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1 M NH4H2PO4, 100 mM Tris ( pH = 8.5 ) |