5CZU
Crystal structure of FeCat-Fn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.070, 181.070, 181.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.960 - 1.600 |
R-factor | 0.17477 |
Rwork | 0.173 |
R-free | 0.20806 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dat |
RMSD bond length | 0.027 |
RMSD bond angle | 2.922 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 34034 | |
<I/σ(I)> | 58 | 6.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate |