9FSC
The structure of ornithine decarboxylase from Leishmania infantum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 119.220, 119.220, 85.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.840 - 2.270 |
| R-factor | 0.2372 |
| Rwork | 0.235 |
| R-free | 0.27260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.840 | 65.838 | 2.443 |
| High resolution limit [Å] | 2.270 | 7.122 | 2.274 |
| Rmerge | 0.087 | 0.039 | 2.084 |
| Rmeas | 0.090 | 0.040 | 2.140 |
| Rpim | 0.021 | 0.010 | 0.485 |
| Total number of observations | 18280 | 22149 | |
| Number of reflections | 23012 | 1151 | 1151 |
| <I/σ(I)> | 20.44 | 52.87 | 1.62 |
| Completeness [%] | 93.6 | 99.8 | 60.5 |
| Completeness (spherical) [%] | 99.8 | 18.4 | |
| Completeness (ellipsoidal) [%] | 99.8 | 60.5 | |
| Redundancy | 18.92 | 15.88 | 19.24 |
| CC(1/2) | 0.999 | 0.999 | 0.611 |
| Anomalous completeness (spherical) | 99.8 | 18.8 | |
| Anomalous completeness | 99.8 | 60.8 | |
| Anomalous redundancy | 9.0 | 9.8 | |
| CC(ano) | -0.069 | -0.013 | |
| |DANO|/σ(DANO) | 0.6 | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES monohydrate pH 6.5, 8% w/v Polyethylene glycol 20,000 |
