4R5E
Crystal Structure of Family GH18 Chitinase from Cycas revoluta a Complex with Allosamidin
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] | 95 |
| Detector technology | CCD |
| Collection date | 2014-02-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.842, 64.114, 85.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.19414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3alf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.199 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.310 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.069 | 0.418 |
| Number of reflections | 51423 | |
| <I/σ(I)> | 52.16 | 8.6 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 9.7 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 60% V/V TACSIMATE pH 7.0, 0.1M BIS-TRIS PROPANE pH 7.0, 0.06MM ALLOSAMIDIN, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
