4QXV
CRYSTAL STRUCTURE of HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN AT 1.1 A RESOLUTION
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 | 2013-07-11 |
Detector | PSI PILATUS 6M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.694, 85.914, 63.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.520 - 1.120 |
R-factor | 0.134 |
Rwork | 0.133 |
R-free | 0.15200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.432 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.200 | 1.160 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.047 | 0.360 |
Number of reflections | 91106 | |
<I/σ(I)> | 17.3 | 3.49 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 291 | WT-TTR CONCENTRATION WAS 5 MG/ML IN 10 MM SODIUMPHOSPHATE PH 7.6, 100 MM POTASSIUMCLORIDE. WT-TTR WAS CO-CRYSTALLIZED AT ROOM TEMPERATURE WITH 5 MOLAR EXCESS OF LUTEOLIN IN 3.5% V/V GLYCEROL AND 1.3-1.6 M SODIUM CITRATE AT PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |