6TMS
Crystal structure of a de novo designed hexameric helical-bundle protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-24 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 45.880, 54.330, 79.333 |
Unit cell angles | 89.80, 90.08, 89.77 |
Refinement procedure
Resolution | 15.991 - 2.700 |
R-factor | 0.2958 |
Rwork | 0.288 |
R-free | 0.29940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rossetta model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.579 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.145 | 1.047 |
Rmeas | 0.198 | 1.421 |
Rpim | 0.134 | 0.954 |
Number of reflections | 77817 | 2858 |
<I/σ(I)> | 4.5 | 1.1 |
Completeness [%] | 98.7 | 94.4 |
Redundancy | 3 | 3 |
CC(1/2) | 0.990 | 0.424 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 291 | 0.1 M MES pH 6.6, 17.5% PEG550MME |