5CWC
Crystal structure of de novo designed helical repeat protein DHR5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.111 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 47.320, 51.140, 72.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.858 - 1.250 |
R-factor | 0.1424 |
Rwork | 0.141 |
R-free | 0.16500 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.969 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.280 | |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.050 | 0.022 | 1.527 |
Rmeas | 0.054 | 0.024 | 1.675 |
Total number of observations | 334858 | ||
Number of reflections | 47733 | 593 | 2877 |
<I/σ(I)> | 18.21 | 62.49 | 1.17 |
Completeness [%] | 96.0 | 90.1 | 79.6 |
Redundancy | 7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% (w/v) PEG 6000, 1 M Lithium chloride, 0.1 M Bis-Tris, pH 7.0 |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% (w/v) PEG 6000, 1 M Lithium chloride, 0.1 M Bis-Tris, pH 7.0 |