5V86
Structure of DCN1 bound to NAcM-OPT
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 | 2015-05-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00017 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.045, 96.849, 59.302 |
Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
Resolution | 25.182 - 1.374 |
R-factor | 0.1574 |
Rwork | 0.155 |
R-free | 0.19510 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.370 | 2.950 | 1.370 |
Rmerge | 0.069 | 0.057 | 0.447 |
Rmeas | 0.082 | 0.068 | 0.569 |
Rpim | 0.044 | 0.036 | 0.348 |
Total number of observations | 246338 | ||
Number of reflections | 77103 | ||
<I/σ(I)> | 18.6 | ||
Completeness [%] | 96.9 | 93.8 | 84.7 |
Redundancy | 3.2 | 3.3 | 2.4 |
CC(1/2) | 0.992 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 6% PEG3350, 0.2M NH4Br |