4MNL
Crystal Structure of GH18 Chitinase (G77W/E119Q mutant) from Cycas revoluta in complex with (GlcNAc)4
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 | 2013-02-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.478, 64.109, 85.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.19951 |
| Rwork | 0.199 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3alf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.360 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.358 |
| Number of reflections | 42641 | |
| <I/σ(I)> | 58.3 | 10.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.8 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 60% v/v Tacsimate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
