7CNV
Crystal structure of IscU H106C variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.820, 104.080, 65.280 |
Unit cell angles | 90.00, 106.12, 90.00 |
Refinement procedure
Resolution | 46.510 - 2.230 |
R-factor | 0.21082 |
Rwork | 0.210 |
R-free | 0.23255 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c8n |
RMSD bond length | 0.034 |
RMSD bond angle | 2.025 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.510 | 46.510 | 2.330 |
High resolution limit [Å] | 2.230 | 10.000 | 2.230 |
Rmerge | 0.078 | 0.043 | 0.971 |
Rmeas | 0.084 | 0.047 | 1.049 |
Total number of observations | 285637 | ||
Number of reflections | 40566 | 472 | 4977 |
<I/σ(I)> | 13.36 | 37.41 | 2.12 |
Completeness [%] | 99.9 | 97.9 | 99.9 |
Redundancy | 7.041 | 6.712 | 7.005 |
CC(1/2) | 0.998 | 0.997 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Lithium sulfate, 0.1 M Sodium cacodylate, 30% (w/v) PEG400 |