1O6I
Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2001-11-28 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.805, 103.743, 186.283 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.19400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| 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] | 30.000 * | |
| High resolution limit [Å] | 1.700 | |
| Rmerge | 0.047 | |
| Total number of observations | 374203 * | |
| Number of reflections | 114743 | 10457 * |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 97.1 | 89.7 * |
| Redundancy | 3.3 |
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) |
