2A3E
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 173 |
Detector technology | IMAGE PLATE |
Collection date | 2003-12-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 117.889, 117.889, 99.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21900 |
Structure solution method | known phases |
Starting model (for MR) | 1w9p |
RMSD bond length | 0.009 |
RMSD bond angle | 1.480 |
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 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.063 | 0.563 |
Number of reflections | 98750 | |
<I/σ(I)> | 27.3 | 2.2 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 2.9 |
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 |