4E0O
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.410, 25.430, 52.530 |
Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
Resolution | 18.370 - 1.820 |
R-factor | 0.1842 |
Rwork | 0.182 |
R-free | 0.22940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.380 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.370 | 1.900 | |
High resolution limit [Å] | 1.820 | 8.270 | 1.850 |
Rmerge | 0.056 | 0.024 | 0.411 |
<I/σ(I)> | 10.33 | 23.54 | 2.53 |
Completeness [%] | 96.5 | 88.3 | 96.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 290 | 0.1M Na/K phosphate buffer pH 6.2, 35% (v/v) 2-methyl-2,4-pentanediol, vapor diffusion, hanging drop, temperature 290K |