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 |