3QOK
Crystal structure of putative chitinase II from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-11 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.341, 110.672, 108.481 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.290 - 2.600 |
R-factor | 0.18108 |
Rwork | 0.179 |
R-free | 0.21163 |
Structure solution method | MR-SAD |
Starting model (for MR) | 1itx |
RMSD bond length | 0.013 |
RMSD bond angle | 1.357 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | Auto-Rickshaw ((MOLREP) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.125 | 0.633 |
Number of reflections | 17383 | |
<I/σ(I)> | 14.7 | 2.1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 5.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | 289 | 0.2 M NaCl, 0.1 M Na2HPO4/KH2PO4, 10% PEG8K, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |