9H7J
Human Transthyretin in Complex with 5-methyl-4-phenyl-1H-pyrazol-3-amine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.480, 42.020, 63.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.750 - 1.300 |
| R-factor | 0.22705 |
| Rwork | 0.225 |
| R-free | 0.26024 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.031 |
| RMSD bond angle | 3.028 |
| 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] | 42.020 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.048 | 0.720 |
| Rpim | 0.017 | 0.247 |
| Number of reflections | 56419 | 4105 |
| <I/σ(I)> | 23.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.5 |
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 |
