4Z2G
Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
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 | 2012-01-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 96.980, 96.980, 193.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| R-factor | 0.23253 |
| Rwork | 0.229 |
| R-free | 0.29371 |
| Structure solution method | MAD |
| Starting model (for MR) | 3wd0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.590 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.101 | 0.620 |
| Number of reflections | 29200 | |
| <I/σ(I)> | 16.2 | 3.7 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 11.8 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Hepes-Na pH7.0, 0.8M ammonium sulfate, 5% (v/v) glycerol |
