1E6R
Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.476, 103.427, 185.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.900 - 2.500 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.500 * |
| 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] | 25.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.109 | 0.426 |
| Total number of observations | 139537 * | |
| Number of reflections | 37616 * | 3679 * |
| <I/σ(I)> | 8.9 | 2.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.7 | 3.9 |
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) |
