6KH5
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 | 118.533, 118.533, 118.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.511 - 2.294 |
R-factor | 0.1631 |
Rwork | 0.159 |
R-free | 0.20290 |
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] | 2.294 | 4.950 | 2.300 |
Rmerge | 0.190 | 0.092 | 1.083 |
Rmeas | 0.194 | 0.094 | 1.112 |
Rpim | 0.041 | 0.021 | 0.251 |
Number of reflections | 24172 | 1481 | 1287 |
<I/σ(I)> | 6.7 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 22 | 20.4 | 19 |
CC(1/2) | 0.998 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1 M NH4H2PO4, 100 mM Tris ( pH = 8.5 ) |