7EUU
Crystal structures of 2-oxoglutarate dependent dioxygenase (CTB9) in complex with N-oxalylglycine and pre-cercosporin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 42.027, 97.901, 153.045 |
| Unit cell angles | 90.00, 94.04, 90.00 |
Refinement procedure
| Resolution | 25.444 - 2.202 |
| R-factor | 0.211 |
| Rwork | 0.207 |
| R-free | 0.24560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7eus |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.762 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.058 | 0.042 | 0.283 |
| Rmeas | 0.063 | 0.046 | 0.309 |
| Rpim | 0.024 | 0.018 | 0.121 |
| Total number of observations | 207362 | ||
| Number of reflections | 30959 | 1598 | 1506 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 98.9 | 99.5 | 98.4 |
| Redundancy | 6.7 | 6.7 | 6.3 |
| CC(1/2) | 0.997 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 mM Bis-Tris pH 6.5, 3% (v/v) glycerol, 25% (w/v) PEG 3350 |
