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 |
