3B1Q
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with inosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 83.110, 85.897, 86.872 |
| Unit cell angles | 66.33, 68.47, 67.81 |
Refinement procedure
| Resolution | 47.780 - 1.700 |
| R-factor | 0.17733 |
| Rwork | 0.176 |
| R-free | 0.20667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b1n |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.840 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.056 | 0.376 |
| Number of reflections | 208756 | |
| <I/σ(I)> | 19.1 | 2.8 |
| Completeness [%] | 97.2 | 94 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 293 | 0.1M Na acetate, 0.2M Ca acetate, 26% PEG 400, pH 4.0, VAPOR DIFFUSION, temperature 293K |
