3ARW
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9840 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.010, 50.780, 93.290 |
Unit cell angles | 90.00, 99.59, 90.00 |
Refinement procedure
Resolution | 44.455 - 1.500 |
R-factor | 0.1545 |
Rwork | 0.153 |
R-free | 0.19020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9a |
RMSD bond length | 0.029 |
RMSD bond angle | 2.427 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.455 | 1.540 | |
High resolution limit [Å] | 1.500 | 6.700 | 1.500 |
Rmerge | 0.052 | 0.032 | 0.291 |
Rmeas | 0.039 | 0.378 | |
Number of reflections | 92812 | 961 | 5786 |
<I/σ(I)> | 14.54 | 26.6 | 3.7 |
Completeness [%] | 96.0 | 82.9 | 81.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 5.6 | 293 | 16%(W/V) PEG 4000, 21%(v/v) propanol, 0.1M Na-Acetate, pH 5.6, hanging drop, temperature 293K |