5H73
Crystal structure of human DHODH with 18F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-11 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.891, 90.891, 123.348 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.120 - 1.580 |
| R-factor | 0.17032 |
| Rwork | 0.170 |
| R-free | 0.18583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jtu |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.809 |
| Data reduction software | CrysalisPro |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.120 | 1.870 |
| High resolution limit [Å] | 1.580 | 1.820 |
| Number of reflections | 76331 | |
| <I/σ(I)> | 1.41 | 7.07 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 13.2 | |
| CC(1/2) | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 30% glycerol, 2.4M Ammonium sulfate, PH4.8, 0.1M Acetate, 40mM UDAO, 20.8mM DDAO |
