4K1Z
Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9999 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 107.810, 107.810, 157.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.149 - 2.300 |
R-factor | 0.1644 |
Rwork | 0.161 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.882 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.038 | 41.149 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.046 | 0.259 | |
Number of reflections | 42106 | ||
<I/σ(I)> | 26.4 | 13.2 | 2.8 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 29.2 | 25.8 | 29.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapor difusion, hanging drop | 4.6 | 293 | 0.1 M CdCl2, 0.1M NaOAc, 30% PEG 400, pH 4.6, vapor difusion, hanging drop, temperature 293K |