3GPS
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 5.5
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 | 2008-09-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.495, 61.615, 47.268 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 27.900 - 1.780 |
| R-factor | 0.20508 |
| Rwork | 0.202 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dgd |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0059) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.191 | 0.488 |
| Number of reflections | 45854 | |
| <I/σ(I)> | 8.1 | 3 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | ZINC ACETATE 0.2 M, SODIUM CITRATE 0.1 M, AMMONIUM SULFATE 2,0M, CRYSTALS WERE SOAKED IN MOTHER LIQUOR SUPPLEMENTED WITH 10 % GLYCEROL BEFORE FREEZING IN LIQUID NITROGEN, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
