3WL1
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3
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 | 2013-10-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 93.835, 93.835, 122.227 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.762 - 1.772 |
R-factor | 0.1437 |
Rwork | 0.143 |
R-free | 0.16860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w4r |
RMSD bond length | 0.019 |
RMSD bond angle | 1.781 |
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 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.058 | 0.424 |
Number of reflections | 58900 | |
<I/σ(I)> | 36.93 | 8.55 |
Completeness [%] | 99.7 | 99.05 |
Redundancy | 16.2 | 15 |
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 |