1Q1G
Crystal structure of Plasmodium falciparum PNP with 5'-methylthio-immucillin-H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.443, 91.733, 238.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.020 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.24200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nw4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 116751 | |
| <I/σ(I)> | 17.8 | 3.9 |
| Completeness [%] | 95.4 | 93.8 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 18 * | AMMONIUM SULFATE, ISOPROPANOL, , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | with ImmH |
| 2 | 1 | drop | sodium phosphate | 3 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 4 | 1 | reservoir | isopropanol | 3 (%) |
