3WQV
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with a(GlcN)5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97869 |
| Spacegroup name | P 65 |
| Unit cell lengths | 94.222, 94.222, 122.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.707 - 2.043 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.16760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w4r |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.881 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.080 |
| High resolution limit [Å] | 2.043 | 2.040 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 38955 | |
| <I/σ(I)> | 24.08 | 11.76 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 17.1 | 17.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM HEPES pH 7.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
