6BDN
Crystal structure of human TAO3 kinase binding ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12708 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.187, 59.897, 110.177 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.100 - 1.500 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.21450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u5r |
RMSD bond length | 0.024 |
RMSD bond angle | 2.383 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.100 | 38.100 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.037 | 0.029 | 0.617 |
Rmeas | 0.042 | 0.034 | 0.701 |
Rpim | 0.020 | 0.017 | 0.327 |
Number of reflections | 59157 | 423 | 2889 |
<I/σ(I)> | 17.1 | ||
Completeness [%] | 99.8 | 98.5 | 99.8 |
Redundancy | 4.4 | 3.8 | 4.4 |
CC(1/2) | 0.999 | 0.996 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279.15 | Drops: 1.8 uL protein + 1.0 uL well solution, protein solution: 6.5 mg/mL TAO3K in 0.7 mM ADP, 5 mM magnesium chloride, 100 mM sodium chloride, 25 mM Tris, pH 8.0, 2 mM BME, 0.3 mM EDTA, well solution: 20% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, cryoprotectant: 20% PEG1500 |