4FZI
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.560, 66.620, 87.310 |
| Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f40 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.088 | 0.020 | 0.529 |
| Number of reflections | 19336 | 236 | 1416 |
| <I/σ(I)> | 17.75 | 61.6 | 3.35 |
| Completeness [%] | 99.7 | 97.5 | 99.5 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | TrcrA.00019.a.B1 PW35698 at 18 mg/mL against Morpheus screen condition H1: 0.1 M MES/imidazole, pH 6.5, 10% PEG20000, 20% PEG550 MME, 0.02 M glutamic acid, glycine, serine, alanine, and lysine, crystal tracking ID 234961h1, kyb3-12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
