4E0N
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
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 | 2011-04-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.960, 25.440, 53.540 |
Unit cell angles | 90.00, 120.12, 90.00 |
Refinement procedure
Resolution | 19.400 - 1.650 |
R-factor | 0.2108 |
Rwork | 0.209 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.270 |
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] | 19.400 | 1.690 | |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.099 | 0.036 | 0.575 |
<I/σ(I)> | 7.34 | 17.21 | 1.87 |
Completeness [%] | 97.9 | 90.5 | 98.1 |
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 |