4MGV
Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 51.450, 46.010, 55.100 |
| Unit cell angles | 90.00, 117.37, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.720 |
| R-factor | 0.20318 |
| Rwork | 0.200 |
| R-free | 0.23529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ihz |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.557 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.520 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.034 | 0.162 |
| Number of reflections | 12119 | |
| <I/σ(I)> | 18.3 | 5 |
| Completeness [%] | 99.0 | 94.1 |
| Redundancy | 3.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 3.0M AMMONIUM SULPHATE, 0.1M BICINE, pH 9.0, 30mM Glycl-Glycl-Glycine, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
