4Z2J
Serratia marcescens Chitinase B complexed with macrolide inhibitor 31
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 | 2012-04-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.720, 97.720, 196.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.970 - 2.600 |
| R-factor | 0.16351 |
| Rwork | 0.161 |
| R-free | 0.20119 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wd0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.554 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.177 | 0.730 |
| Number of reflections | 30166 | |
| <I/σ(I)> | 12.3 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.8 | 12.2 |
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 |
