6DM9
DHD15_extended
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00004 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.854, 92.739, 115.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.023 - 2.250 |
R-factor | 0.2645 |
Rwork | 0.261 |
R-free | 0.30970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational Design Model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.411 |
Data reduction software | XDS (June 17, 2015) |
Data scaling software | XDS (June 17, 2015) |
Phasing software | PHASER (2.8.2.) |
Refinement software | PHENIX ((dev_3084: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.370 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.078 | 2.747 |
Rmeas | 0.084 | 2.992 |
Rpim | 0.032 | 1.173 |
Number of reflections | 27334 | 1646 |
<I/σ(I)> | 12.4 | 0.6 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 6.9 | 6.3 |
CC(1/2) | 0.999 | 0.259 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290.15 | 0.2M Ammonium sulfate, 0.1M Bis-Tris pH 6.5, 18% (v/v) PEG 400 |