2RAV
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.526, 56.339, 93.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.070 |
| R-factor | 0.1169 |
| Rwork | 0.117 |
| R-free | 0.14890 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1ymq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.110 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.083 | 0.501 |
| Number of reflections | 114002 | |
| <I/σ(I)> | 21.2 | 0.028 |
| Completeness [%] | 98.0 | 91.6 |
| Redundancy | 8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 15%PEG 1500, 10mM magnesium chloride and 5mM sodium tungstate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
