3I9A
Crystal structure of human transthyretin variant A25T - #1
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 | 2008-03-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 45.080, 87.830, 66.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.030 - 1.650 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cfm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.113 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.550 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.330 | |
| Number of reflections | 32521 | |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1 uL 5 mg/mL TTR + 1 uL well solution composed by 0.1 M Hepes sodium pH 7.5, 28 % PEG 400, 0.2 calcium chloride dihydrate (Hampton's Crystal Screen I#14), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
