1JYM
Crystals of Peptide Deformylase from Plasmodium falciparum with Ten Subunits per Asymmetric Unit Reveal Critical Characteristics of the Active Site for Drug Design
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97918, 0.97938, 0.96396 |
| Spacegroup name | P 41 |
| Unit cell lengths | 121.263, 121.263, 177.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.2339 |
| Rwork | 0.231 |
| R-free | 0.29599 |
| Structure solution method | MAD |
| Starting model (for MR) | 1dff |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.101 * | 0.594 * |
| Number of reflections | 62948 * | |
| Completeness [%] | 99.6 | 97.1 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 * | 298 | Tris, Sodium chloride, Magnesium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | cacodylate | 10 (mM) | pH6.5 |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | protein | 20 (mg/ml) | |
| 4 | 1 | reservoir | Tris | 0.1 (M) | |
| 5 | 1 | reservoir | 2.5 (M) | ||
| 6 | 1 | reservoir | 0.2 (M) | pH7.0 |
