2PMO
Crystal structure of PfPK7 in complex with hymenialdisine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9310 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.061, 82.473, 138.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.340 - 2.900 |
| R-factor | 0.23453 |
| Rwork | 0.230 |
| R-free | 0.31580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PfPK7 in complex with an ATP analogue (2PML) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.375 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.340 | 2.975 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.096 | 0.478 |
| Number of reflections | 9580 | |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 0.1 M Hepes pH7.5; 20% PEG 10K, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
