5CWQ
Crystal structure of de novo designed helical repeat protein DHR81
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 | 2015-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 120.000, 120.000, 120.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.947 - 2.050 |
R-factor | 0.2005 |
Rwork | 0.199 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.425 |
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 | 2.100 | |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.312 | 0.041 | 3.527 |
Rmeas | 0.319 | 0.042 | 3.608 |
Total number of observations | 397887 | ||
Number of reflections | 18193 | 232 | 1317 |
<I/σ(I)> | 16.77 | 65.5 | 1.14 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 21.9 | 22.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.08 M Sodium acetate, pH 4.6, 20% (v/v) Glycerol |