4TR9
Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.896, 139.557, 142.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.850 - 2.111 |
R-factor | 0.2086 |
Rwork | 0.206 |
R-free | 0.26210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pc4 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.501 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.850 | 2.186 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.070 | 0.910 |
Number of reflections | 49244 | |
<I/σ(I)> | 21.47 | 1.04 |
Completeness [%] | 61.1 | 8.08 |
Redundancy | 5.7 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.1 M MgCl |