2PHR
Pterocarpus angolensis lectin (PAL) in complex with Man-7D1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 293 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.804, 83.269, 123.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
Rwork | 0.177 |
R-free | 0.19700 |
Structure solution method | MOELECULAR REPLACEMENT |
Starting model (for MR) | 1q8p |
RMSD bond length | 0.006 |
RMSD bond angle | 1.570 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.436 |
Number of reflections | 46128 | |
<I/σ(I)> | 15 | 4.23 |
Completeness [%] | 98.4 | 98.2 |
Redundancy | 5.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 100 mM Cacodylate pH 6.6, 200 mM CaCl2, 18% (w/v) PEG-6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |