8H28
Crystal structure of the K87V mutant of cytochrome c' from Shewanella benthica DB6705
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-03-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.540 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.773, 68.259, 45.507 |
Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
Resolution | 37.430 - 2.060 |
R-factor | 0.2072 |
Rwork | 0.202 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a3k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.297 |
Data reduction software | d*TREK (9.9.9.8 W9DSSI) |
Data scaling software | d*TREK (9.9.9.8 W9DSSI) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.180 | 42.180 | 2.130 |
High resolution limit [Å] | 2.060 | 4.440 | 2.060 |
Rmerge | 0.096 | 0.048 | 0.466 |
Rmeas | 0.113 | 0.057 | 0.547 |
Total number of observations | 56943 | 5927 | 5509 |
Number of reflections | 15616 | 1616 | 1528 |
<I/σ(I)> | 7 | 17.8 | 1.9 |
Completeness [%] | 99.0 | 99.6 | 97.9 |
Redundancy | 3.62 | 3.59 | 3.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 400 mM sodium phosphate monobasic / 1600 mM potassium phosphate dibasic, 100 mM imidazole / hydrochloric acid pH 8.0, and 200 mM sodium chloride |