2YC5
Inhibitors of the herbicidal target IspD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 74.900, 74.900, 220.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.110 - 1.600 |
| R-factor | 0.15234 |
| Rwork | 0.150 |
| R-free | 0.18897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yc3 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.075 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.100 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.730 |
| Number of reflections | 31753 | |
| <I/σ(I)> | 14.21 | 2.59 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | NATIVE CRYSTALS (SEE REMARK 1, PDB 1W77) WERE SOAKED WITH A SATURATED SOLUTION OF LIGAND |
