6EP1
Transthyretin in complex with 5-(4-nitrophenylazo)-3-iodosalicylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033200 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.900, 85.270, 64.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.487 - 1.300 |
R-factor | 0.1608 |
Rwork | 0.159 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1y1d |
RMSD bond length | 0.005 |
RMSD bond angle | 0.812 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.487 | 64.590 | 1.340 |
High resolution limit [Å] | 1.269 | 4.010 | 1.270 |
Rmerge | 0.056 | 0.970 | |
Rmeas | 0.085 | 0.063 | 1.069 |
Rpim | 0.035 | 0.028 | 0.443 |
Number of reflections | 61714 | 2211 | 8656 |
<I/σ(I)> | 13.3 | 6.8 | 0.4 |
Completeness [%] | 97.6 | 99.7 | 95.1 |
Redundancy | 5.8 | 5.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | acetate buffer 0.2 M pH 4.8-5.4, ammonium sulfate 1.8-2.2 M, 7% glycerol |