3E85
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-16 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.362, 73.256, 99.956 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.950 |
R-factor | 0.19323 |
Rwork | 0.188 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qim |
RMSD bond length | 0.018 |
RMSD bond angle | 1.878 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.075 | 0.398 |
Number of reflections | 9529 | |
<I/σ(I)> | 20.8 | 3.8 |
Completeness [%] | 99.6 | 96.8 |
Redundancy | 5.7 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 1.4 M Sodium citrate, 0.1 M citrate buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |