2RAR
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.363, 56.476, 94.421 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.240 - 1.520 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ymq |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.036 | 0.236 |
| Number of reflections | 75250 | |
| <I/σ(I)> | 32 | 3.8 |
| Completeness [%] | 97.1 | 78.8 |
| Redundancy | 5.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 15%PEG 1500, 10mM magnesium chloride and 5mM sodium orthovanadate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
