3JQ3
Crystal Structure of Lombricine Kinase, complexed with substrate ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99997 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.692, 77.986, 141.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.994 - 2.503 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model built from creatine kinase 1qk1 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 0.690 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.122 | 0.174 |
| Number of reflections | 13213 | |
| <I/σ(I)> | 7.7 | 5.23 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 5.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | protein at 30 mg/mL in 50mM taurocyamine, 40mM ADP & 5mM MgCl2, mixed 1:1 with and equilibrated against 15mM BisTris, 0.2M NaNO3, 1mM DTT, 20% w/v PEG 3350MME, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
