5EIL
Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.107, 63.940, 64.831 |
Unit cell angles | 90.00, 116.87, 90.00 |
Refinement procedure
Resolution | 28.920 - 2.250 |
R-factor | 0.2169 |
Rwork | 0.214 |
R-free | 0.24500 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.769 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.920 |
High resolution limit [Å] | 2.250 |
Rmerge | 0.280 |
Number of reflections | 22017 |
<I/σ(I)> | 13.92 |
Completeness [%] | 100.0 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1 M Magnesium Chloride, 0.1 M Sodium Acetate trihydrate pH 4.5 and 30% Pentaerythritol propoxylate (5/4 PO/OH) |