1RD6
Crystal Structure of S. Marcescens Chitinase A Mutant W167A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0088 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 77.588, 134.065, 187.904 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.790 - 2.600 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1edq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.086 | 0.413 |
| Number of reflections | 30623 | |
| <I/σ(I)> | 8.7 | 3.8 |
| Completeness [%] | 99.4 | |
| Redundancy | 5.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Tris,PEG 3350, (NH4)2HPO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
