5CWK
Crystal structure of de novo designed helical repeat protein DHR53
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 | 2014-11-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.111 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 127.380, 24.340, 60.440 |
Unit cell angles | 90.00, 116.86, 90.00 |
Refinement procedure
Resolution | 32.466 - 1.900 |
R-factor | 0.2097 |
Rwork | 0.208 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.644 |
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 | 0.048 | 0.022 | 1.668 |
Rmeas | 0.057 | 0.027 | 1.967 |
Total number of observations | 46741 | ||
Number of reflections | 13327 | 140 | 949 |
<I/σ(I)> | 13.15 | 36.88 | 0.99 |
Completeness [%] | 98.3 | 75.7 | 99.2 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 2.2 | 293 | 26% (w/v) PEG 6000, 0.1 M Sodium citrate, pH 2.2 |