1LL4
STRUCTURE OF C. IMMITIS CHITINASE 1 COMPLEXED WITH ALLOSAMIDIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.045, 78.190, 88.457 |
| Unit cell angles | 80.61, 82.27, 66.72 |
Refinement procedure
| Resolution | 5.000 - 2.800 |
| Rwork | 0.197 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1D2K |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.996 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.131 | 0.369 |
| Number of reflections | 34859 | |
| <I/σ(I)> | 5.6 | 2.3 |
| Completeness [%] | 95.8 | 93.2 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 4.6 * | 298 | Hollis, T., (1998) Acta Crystallogr., Sect.D, 54, 1412. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | chitinase | 4 (mg/ml) | |
| 3 | 1 | reservoir | sodium HEPES | 0.1 (M) | |
| 4 | 1 | reservoir | PEG4000 | 30 (%) | |
| 5 | 1 | reservoir | isopropanol | 10 (%) |
