2RBK
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 X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.533, 56.356, 94.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| R-factor | 0.1227 |
| Rwork | 0.123 |
| R-free | 0.14830 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1ymq |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.034 |
| 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 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.122 | 0.423 |
| Number of reflections | 136055 | |
| <I/σ(I)> | 15 | 2 |
| Completeness [%] | 95.5 | 71.4 |
| Redundancy | 9.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 10 mM MgCl2, 0.2 M ammonium acetate, 0.1 M Bis-Tris (pH=5.5) and 25% PEG 3350. Crystals were soaked with 2 mM sodium orthovanadate for 2 hours before data collection., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
