5Y2A
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.637, 90.654, 74.856 |
| Unit cell angles | 90.00, 116.41, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| Rwork | 0.167 |
| R-free | 0.18590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1guv |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.133 | 0.077 | 0.486 |
| Rmeas | 0.145 | 0.083 | 0.533 |
| Rpim | 0.055 | 0.031 | 0.216 |
| Number of reflections | 68407 | 6614 | |
| <I/σ(I)> | 4.8 | ||
| Completeness [%] | 99.9 | 100 | 99.9 |
| Redundancy | 6.6 | 6.9 | 5.8 |
| CC(1/2) | 0.995 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M ammonium acetate, 0.1M Bis-Tris, 45% 2-methyl-2,4-pentadiol |
