3ARQ
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN
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 | 2009-04-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87312 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.010, 50.890, 93.400 |
| Unit cell angles | 90.00, 99.51, 90.00 |
Refinement procedure
| Resolution | 19.928 - 1.500 |
| R-factor | 0.1465 |
| Rwork | 0.145 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b9a |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.335 |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.928 | 1.540 | |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.072 | 0.025 | 0.493 |
| Rmeas | 0.028 | 0.533 | |
| Number of reflections | 96142 | 1100 | 7017 |
| <I/σ(I)> | 23.48 | 55.3 | 6.9 |
| Completeness [%] | 99.5 | 95 | 98.9 |
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 |
