2YC3
Inhibitors of the 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 | PIXEL |
| Collection date | 2005-06-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 74.600, 74.600, 220.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.300 - 1.400 |
| R-factor | 0.16454 |
| Rwork | 0.162 |
| R-free | 0.20408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w77 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.206 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.300 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.100 | 0.840 |
| Number of reflections | 48851 | |
| <I/σ(I)> | 16.96 | 2.58 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 11 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | NATIVE CRYSTALS (SEE REMARK 1, PDB 1W77) WERE SOAKED WITH A SATURATED SOLUTION OF LIGAND MW5 |
