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 |