5CWP
Crystal structure of de novo designed helical repeat protein DHR79
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 | 2015-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.111 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.260, 94.260, 77.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.130 - 1.900 |
R-factor | 0.2012 |
Rwork | 0.200 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.793 |
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 | 1.950 | |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.105 | 0.031 | 3.607 |
Rmeas | 0.109 | 0.032 | 3.740 |
Total number of observations | 398338 | ||
Number of reflections | 28192 | 382 | 2042 |
<I/σ(I)> | 17.5 | 56.33 | 1.05 |
Completeness [%] | 100.0 | 97 | 100 |
Redundancy | 14.1 | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M Sodium citrate, pH 6.5 |