3GRG
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 7.5
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 | 2008-04-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.325, 61.925, 47.300 |
Unit cell angles | 90.00, 89.93, 90.00 |
Refinement procedure
Resolution | 24.720 - 1.900 |
R-factor | 0.19383 |
Rwork | 0.191 |
R-free | 0.25496 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.899 |
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] | 24.720 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.063 | 0.394 |
Number of reflections | 41141 | |
<I/σ(I)> | 13.7 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ZINC ACETATE 0.2 M, SODIUM CITRATE 0.1 M, AMMONIUM SULFATE 2,0M, PH 7.5; CRYSTALS WERE SOAKED IN MOTHER LIQUOR SUPPLEMENTED WITH 10 % GLYCEROL BEFORE FREEZING IN LIQUID NITROGEN, VAPOR DIFFUSION, HANGING DROP, temperature 298K |