5MRM
Arabidopsis thaliana IspD in complex with Isoxazole (4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 74.030, 74.030, 223.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| R-factor | 0.19728 |
| Rwork | 0.195 |
| R-free | 0.22949 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nak |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.327 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.393 |
| Number of reflections | 22217 | |
| <I/σ(I)> | 17.5 | 3.9 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50 mM HEPES, 50 mM CdSO4, 800 mM KAc |
