8BRK
Room temperature crystal structure of cytochrome c' from Thermus thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE VMXi |
Synchrotron site | Diamond |
Beamline | VMXi |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2022-04-13 |
Detector | DECTRIS EIGER2 X 4M |
Wavelength(s) | 0.7749 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.535, 38.986, 41.525 |
Unit cell angles | 90.00, 97.24, 90.00 |
Refinement procedure
Resolution | 35.140 - 1.750 |
R-factor | 0.16013 |
Rwork | 0.158 |
R-free | 0.19334 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ead |
RMSD bond length | 0.012 |
RMSD bond angle | 2.229 |
Data reduction software | DIALS |
Data scaling software | xia2.multiplex |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.140 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.151 | 1.171 |
Rmeas | 0.170 | 1.398 |
Rpim | 0.076 | 0.740 |
Number of reflections | 12429 | 490 |
<I/σ(I)> | 9.9 | 0.9 |
Completeness [%] | 93.9 | 74.7 |
Redundancy | 4.4 | |
CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M HEPES pH 7, 0.2 M sodium chloride, 20% (w/v) PEG 6000 |