9WCV
IscU D40A variant from Methanothrix thermoacetophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.490, 40.280, 90.240 |
| Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
| Resolution | 39.250 - 1.800 |
| R-factor | 0.1978 |
| Rwork | 0.196 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.757 |
| Rmeas | 0.092 | 0.895 |
| Rpim | 0.049 | 0.473 |
| Number of reflections | 39984 | 5490 |
| <I/σ(I)> | 7.85 | 2.31 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.996 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Calcium acetate, 0.1M Tris pH 7.0, 20% w/v PEG3000 |
