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 |