3B1N
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with ADP-mizoribine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.583, 164.654, 182.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.310 - 1.550 |
| R-factor | 0.16809 |
| Rwork | 0.167 |
| R-free | 0.19826 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.901 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.072 | 0.438 |
| Number of reflections | 97659 | |
| <I/σ(I)> | 25.9 | 5.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.1 | 293 | 0.1M Na citrate, 13% PEG 3350, pH 5.1, VAPOR DIFFUSION, temperature 293K |
