6MRR
De novo designed protein Foldit1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.045, 43.584, 29.276 |
Unit cell angles | 90.00, 99.00, 90.00 |
Refinement procedure
Resolution | 28.916 - 1.180 |
R-factor | 0.1499 |
Rwork | 0.146 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational design generated by Foldit software |
RMSD bond length | 0.008 |
RMSD bond angle | 0.833 |
Data reduction software | XDS (Jun 17, 2015) |
Data scaling software | XDS (Jun 17, 2015) |
Phasing software | PHASER (2.8.2.) |
Refinement software | PHENIX ((dev_3112: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.580 | 1.090 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.026 | 0.177 |
Rmeas | 0.031 | 0.221 |
Rpim | 0.017 | 0.131 |
Number of reflections | 22566 | 430 |
<I/σ(I)> | 18.9 | 2.9 |
Completeness [%] | 85.3 | 32.8 |
Redundancy | 3.2 | 2.1 |
CC(1/2) | 0.999 | 0.981 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.2 M potassium chloride, 0.05 M HEPES, pH 7.5, 35% v/v pentaerythritol propoxylate (5/4 PO/OH) |