6DLM
DHD127
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.999995 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.918, 48.755, 64.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.817 - 1.753 |
R-factor | 0.1974 |
Rwork | 0.197 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational design model |
RMSD bond length | 0.011 |
RMSD bond angle | 1.157 |
Data reduction software | HKL-2000 (715) |
Data scaling software | HKL-2000 (715) |
Phasing software | PHASER (2.8.0.) |
Refinement software | PHENIX ((dev_3084: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.123 | 0.734 |
Rmeas | 0.132 | 0.787 |
Rpim | 0.048 | 0.282 |
Number of reflections | 14674 | 1189 |
<I/σ(I)> | 18.1 | 2.16 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.7 | 7.7 |
CC(1/2) | 0.999 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290.15 | Molecular Dimensions Morpheus condition E9 - 0.12M Ethylene glycols (0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol), 0.1M Buffer System 3 (1.0M Tris (base); BICINE, pH 8.5 at 20C), pH 8.5, 50% (v/v) Precipitant Mix 1 (40% v/v PEG 500* MME; 20% w/v PEG 20000) |