5Y2B
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with HEPTA-N-ACETYLCHITOOCTAOSE (NAG)7
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 | 2016-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97778 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.775, 97.775, 92.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
Rwork | 0.153 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y29 |
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 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.201 | 0.110 | 0.967 |
Rmeas | 0.211 | 0.116 | 1.032 |
Rpim | 0.062 | 0.036 | 0.353 |
Number of reflections | 23347 | 2073 | |
<I/σ(I)> | 4.4 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 11.2 | 11.1 | 8.4 |
CC(1/2) | 0.998 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M sodium chloride, 0.1M Tris, 25% PEG3350 |