3NBE
Clitocybe nebularis ricin B-like lectin (CNL) in complex with N,N'-diacetyllactosediamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.885, 80.955, 95.777 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.470 - 1.860 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nbc |
RMSD bond length | 0.025 |
RMSD bond angle | 2.187 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.083 | 0.364 |
Number of reflections | 27569 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 96.5 | 48.6 |
Redundancy | 7.5 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 293 | 0.085M HEPES sodium, 1.7%(v/v) PEG 400, 2.0M Ammonium sulfate, 19%(w/v) Glycerol, pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |