6WZ7
Mn-bound structure of a TriCyt3 variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.485500 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.978, 81.847, 53.385 |
Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
Resolution | 35.396 - 2.300 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.396 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.063 | 0.344 |
Rmeas | 0.075 | 0.410 |
Rpim | 0.040 | 0.220 |
Number of reflections | 26625 | 2615 |
<I/σ(I)> | 13.95 | |
Completeness [%] | 98.3 | |
Redundancy | 3.4 | |
CC(1/2) | 1.000 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 45% MPD, 0.2 M calcium chloride, 0.1 M HEPES (pH 7.5) |