2WLY
Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline.
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 | 2005-05-07 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 131.004, 201.442, 59.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 109.760 - 2.400 |
| R-factor | 0.15771 |
| Rwork | 0.155 |
| R-free | 0.20486 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1edq |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0097) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 30934 | |
| <I/σ(I)> | 15.4 | 3.7 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 1.0M SODIUM CITRATE 10MM SODIUM BORATE PH8 DIOXANE 20%, pH 8.0 |
