7ARR
The de novo designed hybrid alpha/beta-miniprotein
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] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 |
Unit cell lengths | 30.937, 32.068, 43.087 |
Unit cell angles | 114.16, 91.88, 109.86 |
Refinement procedure
Resolution | 29.020 - 1.100 |
R-factor | 0.1299 |
Rwork | 0.129 |
R-free | 0.16070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | not deposited |
RMSD bond length | 0.024 |
RMSD bond angle | 2.762 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.170 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.027 | 0.140 |
Number of reflections | 49390 | 7297 |
<I/σ(I)> | 24.5 | 7.34 |
Completeness [%] | 87.3 | 80.1 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2 M magnesium chloride hexahydrate 0.1 M HEPES pH 7.5 25 % w/v PEG 3350 |