3W6E
Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 (E162Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 99.913, 99.913, 241.135 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.920 - 2.150 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w6b |
RMSD bond length | 0.007 |
RMSD bond angle | 0.981 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.102 | 0.054 | 0.371 |
Number of reflections | 39695 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.9 | 99.1 | 99.8 |
Redundancy | 16.4 | 16.8 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 11.1% (w/v) PEG 3350, 1.8% (v/v) isopropanol, 44.4mM CaCl2, 44.4mM HEPES (pH7.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |