3NBC
Clitocybe nebularis ricin B-like lectin (CNL) in complex with lactose, crystallized at pH 4.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.789, 55.898, 112.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.950 - 1.010 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.17200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | The starting model was partial structure obtained by iodine SAD phasing of unpublished data set. |
RMSD bond length | 0.051 |
RMSD bond angle | 2.105 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.030 |
High resolution limit [Å] | 1.010 | 1.010 |
Rmerge | 0.046 | 0.403 |
Number of reflections | 177749 | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 98.4 | 94.8 |
Redundancy | 8.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 293 | 0.1M Sodium acetate, 29%(v/v) PEG 550 MME, pH 4.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |