3E1H
Crystal structure of a type III polyketide synthase PKSIIINc from Neurospora crassa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.023, 104.960, 105.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.580 |
| R-factor | 0.21593 |
| Rwork | 0.213 |
| R-free | 0.26016 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1CGZ and 1TED |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.361 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.091 | 0.387 |
| Number of reflections | 24396 | |
| <I/σ(I)> | 2.24 | |
| Completeness [%] | 97.6 | 88.2 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | PEG 8000, Isopropanol, Sodium acetate, HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
