7C8O
Crystal structure of IscU D40A/H106A variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.678, 60.376, 64.562 |
Unit cell angles | 90.00, 95.78, 90.00 |
Refinement procedure
Resolution | 42.260 - 1.840 |
R-factor | 0.2008 |
Rwork | 0.194 |
R-free | 0.22250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z7e |
RMSD bond length | 0.012 |
RMSD bond angle | 2.135 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.260 | 1.860 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.091 | 0.910 |
Rmeas | 0.099 | 0.983 |
Rpim | 0.038 | 0.368 |
Total number of observations | 271483 | |
Number of reflections | 40163 | 3984 |
<I/σ(I)> | 13.08 | 3.53 |
Completeness [%] | 99.8 | 99.95 |
Redundancy | 3.469 | 3.602 |
CC(1/2) | 0.998 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 293 | 0.2 M Potassium iodide, 20 % (w/v) PEG 3350 |