2PMN
Crystal structure of PfPK7 in complex with an ATP-site inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.406, 82.084, 138.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.22277 |
| Rwork | 0.219 |
| R-free | 0.29559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PfPK7 in complex with ATP analogue (2PML) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.309 |
| 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] | 20.000 | 2.871 |
| High resolution limit [Å] | 2.750 | 2.800 |
| Rmerge | 0.066 | 0.461 |
| Number of reflections | 10971 | |
| <I/σ(I)> | 15.8 | 2.1 |
| Completeness [%] | 97.7 | 87.3 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 0.1 M Hepes pH7.5; 20% PEG10K, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
