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 |