9KTP
Fe(II)/2-oxoglutarate-dependent dioxygenase UcsF in complexed with Ni and N-oxalylglycine (NOG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-26 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.164, 92.003, 137.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.164 - 2.060 |
| R-factor | 0.1952 |
| Rwork | 0.192 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c3q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.15) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.15) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.164 | 2.120 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.147 | 1.021 |
| Number of reflections | 38793 | 2964 |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.995 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30 % w/v PEG 2000, 0.1 M Potassium thiocyanate |
