6M3Q
Crystal structure of AnkB/beta4-spectrin complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97799 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.900, 110.485, 131.675 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.357 - 3.436 |
R-factor | 0.2548 |
Rwork | 0.252 |
R-free | 0.30710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8o 3kbt |
RMSD bond length | 0.005 |
RMSD bond angle | 1.064 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.460 |
High resolution limit [Å] | 3.400 | 9.210 | 3.400 |
Rmerge | 0.255 | 0.047 | 0.767 |
Rmeas | 0.277 | 0.051 | 0.835 |
Rpim | 0.106 | 0.020 | 0.325 |
Total number of observations | 94782 | ||
Number of reflections | 14141 | 788 | 686 |
<I/σ(I)> | 4.4 | ||
Completeness [%] | 99.5 | 98.1 | 98.4 |
Redundancy | 6.7 | 6.3 | 6.2 |
CC(1/2) | 0.998 | 0.661 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 289 | 25% w/v pentaerythritol propoxylate 629 (17/8 PO/OH), 50 mM magnesium chloride and 0.1 M HEPES, pH 7.5 |