9H7I
Human Transthyretin in Complex with 4-(1H-pyrazol-4-yl)quinoline
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 | 85.060, 42.300, 64.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.550 - 1.210 |
| R-factor | 0.15513 |
| Rwork | 0.154 |
| R-free | 0.18339 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.175 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.550 | 1.250 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.050 | 0.610 |
| Rpim | 0.019 | 0.291 |
| Number of reflections | 70465 | 4875 |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 98.9 | |
| Redundancy | 8.4 |
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 |
