3CAK
X-ray structure of WT PTE with ethyl phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.286, 45.338, 78.913 |
| Unit cell angles | 104.73, 93.40, 97.65 |
Refinement procedure
| Resolution | 20.490 - 1.830 |
| R-factor | 0.1431 |
| Rwork | 0.140 |
| R-free | 0.19557 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ob3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.419 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.080 | 0.344 |
| Number of reflections | 47158 | |
| <I/σ(I)> | 13.2 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-Tris, 20% polyethylene glycol monomethyl ether 5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
