3B1R
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with AMP-Mg-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 125.222, 125.222, 115.002 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.350 - 2.000 |
| R-factor | 0.16916 |
| Rwork | 0.167 |
| R-free | 0.20398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b1n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.083 | 0.419 |
| Number of reflections | 136213 | |
| <I/σ(I)> | 14.7 | 4.3 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 5.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1M Tris, 0.2M MgCl2, 20% PEG 8000, pH 8.5, VAPOR DIFFUSION, temperature 293K |
