4PM1
Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.87 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.202, 86.134, 63.395 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.067 - 1.230 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gs4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.304 |
Data scaling software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.067 | 1.270 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.118 | 1.220 |
Number of reflections | 68116 | |
<I/σ(I)> | 11.73 | 1.88 |
Completeness [%] | 98.0 | 96.4 |
Redundancy | 9.32 | 9.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | Protein: 5 mg/ml TTR dialysed against 0.1 M NaCl, 0.05M Na acetate, pH 5.5. Precipitant:: 70% (30% PEG 4000, 0.2M imidazole malate, pH 6.0) 30% (18% monomethyl PEG 2000, 0.1 M sodium cacodylate, pH 6.5). Cryoprotectant: 40% (25 % diethylene glycol + 12.5 % MPD + 37.5 % 2,3-butanediol + 12.5 % 1,4-dioxane) 50% (12.5% MPEG 5K, 25% MPEG 550) 0.1 M (mixed Na propionate, Na cacodylate, Bis-Tris-propane 50% at pH 4.0 and 50% pH 9.5) |