3CHC
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 173 |
Detector technology | IMAGE PLATE |
Collection date | 2007-06-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 117.183, 117.183, 100.045 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.18700 |
Structure solution method | Known phases |
Starting model (for MR) | 1w9v |
RMSD bond length | 0.012 |
RMSD bond angle | 1.540 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.079 | 0.420 |
Number of reflections | 105305 | |
<I/σ(I)> | 15.2 | 2.5 |
Completeness [%] | 99.1 | 98.3 |
Redundancy | 3.2 | 3.2 |
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 |