3ARO
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-01-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.820, 50.550, 93.260 |
Unit cell angles | 90.00, 99.68, 90.00 |
Refinement procedure
Resolution | 19.820 - 2.220 |
R-factor | 0.1466 |
Rwork | 0.143 |
R-free | 0.21590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9a |
RMSD bond length | 0.021 |
RMSD bond angle | 1.828 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.822 | 2.280 | |
High resolution limit [Å] | 2.220 | 9.950 | 2.220 |
Rmerge | 0.058 | 0.021 | 0.164 |
Rmeas | 0.028 | 0.208 | |
Number of reflections | 28924 | 283 | 2016 |
<I/σ(I)> | 15.4 | 41 | 5.8 |
Completeness [%] | 97.7 | 76.5 | 93.3 |
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 |