3HBE
Class IV chitinase structure from Picea abies at 1.55A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9395 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.194, 65.792, 36.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.16419 |
Rwork | 0.163 |
R-free | 0.19382 |
Structure solution method | REFMAC 5.2.0019 rigidbody refinement |
Starting model (for MR) | Structure of Picea abies chitinase (PDB entry 3HBD) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.045 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC (5.2.0019 rigidbody refinement) |
Refinement software | REFMAC (5.2.0019 rigidbody refinement) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.088 | 0.219 |
Number of reflections | 23744 | |
<I/σ(I)> | 16.7 | 6.3 |
Completeness [%] | 97.4 | 92.6 |
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 |