2WK2
Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline dithioamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-24 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.214, 200.970, 59.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 109.760 - 2.050 |
| R-factor | 0.16799 |
| Rwork | 0.165 |
| R-free | 0.21481 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1edq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.713 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 49743 | |
| <I/σ(I)> | 16.8 | 3.8 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 1.0 M SODIUM CITRATE, 10 MM SODIUM BORATE PH 8.0, DIOXANE 10 % |
