4R1E
Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-23 |
| Detector | Pilatus 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.710, 55.760, 75.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.930 - 1.980 |
| R-factor | 0.19858 |
| Rwork | 0.196 |
| R-free | 0.22266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aom |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.177 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.930 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.042 | 0.106 |
| Number of reflections | 11020 | |
| <I/σ(I)> | 13.2 | 6.9 |
| Completeness [%] | 97.6 | 97.9 |
| Redundancy | 3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M ammonium sulfate, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
