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 |