3I0O
Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and Spectinomcyin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-28 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.008, 75.008, 139.941 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.890 - 2.400 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo APH(9)-Ia |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 17953 | |
| <I/σ(I)> | 18.5 | 2.9 |
| Completeness [%] | 97.0 | 85.6 |
| Redundancy | 6.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG8000, magnesium acetate, manganese chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
