6LWU
Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A E19A with chitopentaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-12-08 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 83.644, 83.644, 118.274 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.810 - 2.419 |
R-factor | 0.205 |
Rwork | 0.199 |
R-free | 0.25560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4olt |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.419 | 6.560 | 2.420 |
Rmerge | 0.043 | 0.034 | 0.094 |
Rmeas | 0.046 | 0.036 | 0.099 |
Rpim | 0.015 | 0.011 | 0.032 |
Number of reflections | 11676 | 586 | 588 |
<I/σ(I)> | 12.1 | ||
Completeness [%] | 99.2 | 98.5 | 99.8 |
Redundancy | 9.7 | 10.1 | 9.5 |
CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES, 10%PEG 8000, 8% (v/v) glycol,2% (w/v) chitopentaose |