3WD2
Serratia marcescens Chitinase B complexed with azide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.447, 97.447, 197.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.890 - 2.200 |
| R-factor | 0.17217 |
| Rwork | 0.171 |
| R-free | 0.20277 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.401 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.087 | 0.471 |
| Number of reflections | 49003 | |
| <I/σ(I)> | 29.9 | 6.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M sodium phosphate pH7.0, 0.8M ammonium sulfate, 5% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
