3B1P
Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with ADP-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 21 21 2 |
| Unit cell lengths | 74.875, 83.853, 52.864 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.720 - 1.700 |
| R-factor | 0.18397 |
| Rwork | 0.182 |
| R-free | 0.21734 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b1n |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.871 |
| 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 | 0.077 | 0.281 |
| Number of reflections | 37278 | |
| <I/σ(I)> | 27.4 | 5.3 |
| Completeness [%] | 99.4 | 92.6 |
| Redundancy | 7.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 0.1M Na citrate, 16% PEG 3350, pH 5.5, VAPOR DIFFUSION, temperature 293K |
