4J4N
Crystal structure of FK506 binding domain of plasmodium falciparum FKBP35 in complex with D44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.927, 69.927, 186.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vn1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.456 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.059 | 0.569 |
| Number of reflections | 12747 | |
| <I/σ(I)> | 27.31 | 1.93 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 6.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 291 | 3.5M AMMONIUM SULPHATE, 0.1M CITRATE BUFFER, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
