2IUZ
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-03 |
Detector | MARRESEARCH |
Spacegroup name | P 41 |
Unit cell lengths | 116.782, 116.782, 99.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.1867 |
Rwork | 0.187 |
R-free | 0.22330 |
Structure solution method | OTHER |
RMSD bond length | 0.010 |
RMSD bond angle | 1.497 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.450 |
Number of reflections | 96150 | |
<I/σ(I)> | 21 | 3.4 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.5 | 0.1 M TRIS/HCL PH 9.5, 1.4 M LI2SO4 |