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 |
