3B1O
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in ligand-free form
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 | 2010-06-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.359, 85.359, 160.822 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.100 |
| R-factor | 0.23779 |
| Rwork | 0.236 |
| R-free | 0.27663 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b1n |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.223 |
| 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 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.097 | 0.413 |
| Number of reflections | 35578 | |
| <I/σ(I)> | 11.4 | 8.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9.3 | 293 | 0.1M CHES, 0.2M NaCl, 1.4M ammonium sulfate, pH 9.3, VAPOR DIFFUSION, temperature 293K |
