3G6M
crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.161, 72.038, 59.298 |
| Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
| Resolution | 32.050 - 1.650 |
| R-factor | 0.18473 |
| Rwork | 0.182 |
| R-free | 0.23046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w9p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.421 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.043 | 0.204 |
| Number of reflections | 38880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2M ammonium dihydrogen phosphate, 15%(w/v) PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
