3WH1
Crystal Structure of a Family GH19 Chitinase from Bryum coronatum in complex with (GlcNAc)4 at 1.0 A resolution
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 | 2010-10-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.384, 58.375, 48.136 |
| Unit cell angles | 90.00, 115.47, 90.00 |
Refinement procedure
| Resolution | 44.060 - 1.000 |
| R-factor | 0.14789 |
| Rwork | 0.148 |
| R-free | 0.15506 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ij4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.186 |
| 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 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.086 | 0.319 |
| Number of reflections | 98800 | |
| <I/σ(I)> | 33.25 | 4.13 |
| Completeness [%] | 98.6 | 94.2 |
| Redundancy | 6.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.09M Tris-HCl(pH 8.5), 1.35M di-Ammonium hydrogen phosphate, 0.001M CoCl2, 0.01M Sodium acetate(pH 4.6), 0.1M 1,6-Hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
