4RA3
Crystal structure of dimeric S33C beta-2 microglobulin mutant in complex with Thioflavin (ThT) at 2.8 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2014-01-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97088 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 80.038, 80.038, 177.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.310 - 2.800 |
R-factor | 0.17252 |
Rwork | 0.171 |
R-free | 0.20649 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s6c |
RMSD bond length | 0.010 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 177.700 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.059 | 1.139 |
Number of reflections | 16940 | |
<I/σ(I)> | 21.4 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% v/v PEG4000, 0.1 M sodium chloride, 5 mM thioflavin, 0.1 M HEPES sodium, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |