1H0I
Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2001-04-15 |
| Detector | ADSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.767, 103.908, 186.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 * - 2.000 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.341 |
| Total number of observations | 234279 * | |
| Number of reflections | 72253 | 6453 * |
| <I/σ(I)> | 6.3 | 3.1 |
| Completeness [%] | 96.9 | 88 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 * | van Aalten, D.M.F., (2000) Proc. Natl. Acad. Sci. U.S.A., 97, 5842. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | citrate | 50 (mM) | |
| 3 | 1 | reservoir | 0.5 (M) | ||
| 4 | 1 | reservoir | ammonium sulfate | 0.25 (M) |
