9H7M
Human Transthyretin in Complex with 4-(quinolin-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.030, 42.130, 63.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.480 - 1.270 |
| R-factor | 0.15189 |
| Rwork | 0.150 |
| R-free | 0.19091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.316 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.510 | 1.300 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.051 | 0.640 |
| Rpim | 0.015 | 0.190 |
| Number of reflections | 60596 | 4289 |
| <I/σ(I)> | 22.5 | 3.9 |
| Completeness [%] | 99.1 | |
| Redundancy | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294.15 | 100 mM HEPES, 200 mM CaCl2, 28% v/v PEG400, pH 7.5 |
