3CHE
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2006-02-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 41 |
| Unit cell lengths | 117.419, 117.419, 99.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.050 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.19500 |
| Structure solution method | Known phases |
| Starting model (for MR) | 1w9v |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES (from pdb entry 1W9P) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.113 | 0.377 |
| Number of reflections | 84294 | |
| <I/σ(I)> | 14.3 | 2.7 |
| Completeness [%] | 99.6 | 95.8 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | Tris/HCl, Li2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
