3ENZ
Arsenolytic structure of Plasmodium falciparum purine nucleoside phosphorylase with hypoxanthine, ribose and arsenate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.196 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 177.820, 177.820, 253.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 145.860 - 2.030 |
| R-factor | 0.16035 |
| Rwork | 0.160 |
| R-free | 0.19325 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nw4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.396 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.860 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.106 | 0.556 |
| Number of reflections | 129248 | |
| <I/σ(I)> | 18.5 | 2.7 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 10.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 4.0M Sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
