3HBD
Class IV chitinase structure from Picea abies at 1.8A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.004, 65.579, 36.481 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.17749 |
Rwork | 0.176 |
R-free | 0.20993 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Homology model of the Picea abies chitinase built on barley seed chitinase (PDB entry 1CNS) |
RMSD bond length | 0.014 |
RMSD bond angle | 1.267 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.078 | 0.481 |
Number of reflections | 14815 | |
<I/σ(I)> | 13 | 3.1 |
Completeness [%] | 97.4 | 88.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 296 | 20% w/v polyethylene glycol 3000, 0.1M citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |