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 |
