3MDB
Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-19 |
Detector | MAR300 |
Wavelength(s) | 0.97625 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 115.797, 115.797, 189.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.437 - 2.952 |
R-factor | 0.227 |
Rwork | 0.225 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | nearly isomorphous coordinates of PDB entry 3FM8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.158 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.060 |
High resolution limit [Å] | 2.950 | 6.340 | 2.950 |
Rmerge | 0.139 | 0.045 | 0.957 |
Number of reflections | 27800 | ||
<I/σ(I)> | 6.4 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 14.6 | 13.6 | 14.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Sample buffer: 20mM HEPES, pH 7.30, 500mM NaCl, 1mM TCEP, 5% Glycerol. Protein complex was mixed with PIP3 in 1:1 molar ratio and acetone (5%). Reservoir solution: 0.8M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate. Cryo-protectant: 2.0M lithium sulfate., vapor diffusion, sitting drop, temperature 291K |