4J0L
Crystal Structure of a Family GH19 Chitinase (W72A/E67Q mutant) from rye seeds in complex with two (GlcNAc)4 molecules
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 | 2012-06-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.783, 78.783, 95.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.720 - 1.900 |
| R-factor | 0.18333 |
| Rwork | 0.182 |
| R-free | 0.20737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.079 |
| 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] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.104 | 0.332 |
| Number of reflections | 24277 | |
| <I/σ(I)> | 44.8 | 11 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.2 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Sodium chloride, 0.1M HEPES (pH 7.5), 1.6M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
