6JMN
Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.496, 108.684, 122.442 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.170 - 2.500 |
| R-factor | 0.2072 |
| Rwork | 0.203 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gpr |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.075 | 0.050 | 0.735 |
| Rmeas | 0.078 | 0.052 | 0.766 |
| Rpim | 0.022 | 0.015 | 0.213 |
| Total number of observations | 296941 | ||
| Number of reflections | 23127 | 1287 | 1163 |
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 12.8 | 11.4 | 12.7 |
| CC(1/2) | 0.999 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100 mM HEPES pH 7.0, 30% (w/v) Jeffamine ED-2001 |
