3U2J
Neutron crystal structure of human Transthyretin
Experimental procedure
Experimental method | LAUE |
Source type | NUCLEAR REACTOR |
Source details | J-PARC MLF BEAMLINE BL-03 |
Synchrotron site | JPARC MLF |
Beamline | BL-03 |
Temperature [K] | 293 |
Detector technology | STORAGE PHOSPHORS |
Collection date | 2010-11-20 |
Detector | wavelength-shift-fiber type of position-sensitive detector |
Wavelength(s) | 3.2 - 6.2 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 44.094, 86.103, 66.313 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.100 - 2.000 |
R-factor | 0.234 |
Rwork | 0.232 |
R-free | 0.27240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u2i |
RMSD bond length | 0.004 |
RMSD bond angle | 1.401 |
Data reduction software | STARGazer |
Data scaling software | STARGazer |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.100 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 15307 | |
<I/σ(I)> | 4.3 | 1.5 |
Completeness [%] | 86.4 | 72.5 |
Redundancy | 2.6 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 1.85M tri-ammonium citrate, pD7.4, 0.4M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |