6Z0M
Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.875, 73.097, 84.128 |
Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
Resolution | 81.250 - 1.450 |
R-factor | 0.1549 |
Rwork | 0.152 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6u |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.7.18) |
Refinement software | PHENIX (1.18rc3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 81.250 | 81.250 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.036 | 0.027 | 0.863 |
Rmeas | 0.042 | 0.032 | 1.031 |
Rpim | 0.023 | 0.017 | 0.556 |
Total number of observations | 265700 | 1778 | 13035 |
Number of reflections | 78983 | 511 | 3937 |
<I/σ(I)> | 12.6 | 41.7 | 1.3 |
Completeness [%] | 99.3 | 98.6 | 99.2 |
Redundancy | 3.4 | 3.5 | 3.3 |
CC(1/2) | 0.999 | 0.998 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 550 MME, 0.01 M zinc sulfate, 0.1 M HEPES pH 7.5 |