3WD1
Serratia marcescens Chitinase B complexed with syn-triazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.768, 97.768, 197.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.18778 |
| Rwork | 0.186 |
| R-free | 0.22583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e15 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.946 |
| 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 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.114 | 0.704 |
| Number of reflections | 43256 | |
| <I/σ(I)> | 25.8 | 5.23 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.3 | 15.2 |
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 |
