4R61
Crystal structure of a rationally designed single-chain protein mimicking a trimeric gp41 N-terminal heptad-repeat region
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96869 |
Spacegroup name | H 3 2 |
Unit cell lengths | 57.956, 57.956, 257.671 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.803 - 3.100 |
Rwork | 0.247 |
R-free | 0.28930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xra |
RMSD bond length | 0.005 |
RMSD bond angle | 0.586 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.17) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.800 | 19.800 | 3.310 |
High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
Rmerge | 0.090 | 0.024 | 0.327 |
Total number of observations | 1430 | 4637 | |
Number of reflections | 3278 | ||
<I/σ(I)> | 130.8 | 357.2 | 41.9 |
Completeness [%] | 99.6 | 91.7 | 100 |
Redundancy | 8.6 | 9.1 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2 M sodium chloride, 0.1 M sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2 M sodium chloride, 0.1 M sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |