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 |