5UFI
DCN1 bound to DI-591
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.142, 101.647, 173.521 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.240 - 2.580 |
R-factor | 0.211 |
Rwork | 0.210 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.240 | 50.000 | 2.620 |
High resolution limit [Å] | 2.580 | 7.000 | 2.580 |
Rmerge | 0.084 | 0.019 | 0.616 |
Rmeas | 0.093 | ||
Rpim | 0.039 | ||
Total number of observations | 188478 | ||
Number of reflections | 35513 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 99.9 | 98.6 | 99.7 |
Redundancy | 5.3 | 4.8 | 5.2 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 4000 and 100 mM potassium phosphate (monobasic) |