1E6Z
CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-15 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.801, 103.811, 186.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.870 - 1.990 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 23.700 * |
| 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] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.091 | 0.559 |
| Total number of observations | 197360 * | |
| Number of reflections | 70359 * | 5320 * |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 92.8 | 71.2 |
| Redundancy | 2.8 | 2.3 * |
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) |
