2YCM
Inhibitors of herbicidal target IspD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-03-16 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 75.060, 75.060, 220.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.610 - 1.800 |
| R-factor | 0.19887 |
| Rwork | 0.197 |
| R-free | 0.23252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yc3 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.908 |
| 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] | 36.500 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.130 | 1.360 |
| Number of reflections | 22629 | |
| <I/σ(I)> | 10.84 | 2.43 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | NATIVE CRYSTALS (SEE REMARK 1, PDB 1W77) WERE SOAKED WITH A SATURATED SOLUTION OF LIGAND |
