3NEO
Wild type human transthyretin (TTR) complexed with GC-24 (TTRwt:GC-24)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.770, 84.910, 64.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.910 - 2.000 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.568 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.440 | 25.910 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.048 | 0.439 | |
| Total number of observations | 3542 | 14565 | |
| Number of reflections | 16052 | ||
| <I/σ(I)> | 13.1 | 9.8 | 1.8 |
| Completeness [%] | 97.7 | 96.7 | 95.6 |
| Redundancy | 6.4 | 6.1 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M CaCl2, 0.1 M HEPES pH 7.5, 28% PEG 400, vapor diffusion, hanging drop, temperature 293K |
