6M2B
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.040, 91.040, 122.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.340 - 1.760 |
| R-factor | 0.1688 |
| Rwork | 0.168 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ls1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.742 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.090 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.107 | |
| Number of reflections | 58612 | 8478 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.997 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
