3B2T
Structure of phosphotransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.081 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.698, 80.345, 118.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| Rwork | 0.201 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gjo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.564 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.059 | 0.047 | 0.111 |
| Number of reflections | 60871 | ||
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 7.9 | 6.8 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.6M sodium dihydrogen phosphate, 0.6M potassium dihydrogen phosphate, 0.1M HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
