4K0O
F17b-G lectin domain with bound GlcNAc(beta1-3)Gal
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] | 100 |
Detector technology | CCD |
Collection date | 2005-04-13 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8128 |
Spacegroup name | P 62 |
Unit cell lengths | 87.646, 87.646, 57.022 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.823 - 2.150 |
R-factor | 0.1756 |
Rwork | 0.168 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bs8 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.889 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.000 | 99.000 | 2.230 |
High resolution limit [Å] | 2.150 | 4.635 | 2.150 |
Rmerge | 0.069 | 0.052 | 0.210 |
Number of reflections | 13775 | ||
<I/σ(I)> | 21.5 | ||
Completeness [%] | 99.9 | 99.8 | 99.6 |
Redundancy | 24.8 | 25.2 | 15.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.2M lithium sulphate, 10mM nickel chloride, 100mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |