6II7
Crystal structure of Plasmodium falciparum adenosine deaminase C27Q+L227I mutant co-complexed with Zn ion, hypoxanthine and inosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-19 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.605, 62.553, 126.703 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.480 |
| R-factor | 0.1762 |
| Rwork | 0.173 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pgf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.552 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.570 |
| High resolution limit [Å] | 2.480 | 5.340 | 2.480 |
| Rmerge | 0.057 | 0.046 | 0.173 |
| Number of reflections | 14322 | 1545 | 1399 |
| <I/σ(I)> | 17.3 | ||
| Completeness [%] | 99.8 | 98.7 | 99.4 |
| Redundancy | 4.8 | 5.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5 | 294 | 0.1M MMT buffer pH 5.0, 25% PEG w/v 1500 |
