3SIM
Crystallographic structure analysis of family 18 Chitinase from Crocus vernus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8123 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 172.270, 37.080, 126.370 |
| Unit cell angles | 90.00, 127.01, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.15838 |
| Rwork | 0.155 |
| R-free | 0.21347 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nar |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.628 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.012 | 0.430 |
| Number of reflections | 34613 | |
| <I/σ(I)> | 2.2 | 1.4 |
| Completeness [%] | 96.3 | 95.7 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.1M CHES, 20 % (w/v) PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
