3WUR
Structure of DMP19 Complex with 18-crown-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-10 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.100, 67.100, 176.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.600 - 1.450 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.20400 |
Structure solution method | SAD |
RMSD bond length | 0.033 |
RMSD bond angle | 3.025 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.450 |
Rmerge | 0.041 |
Number of reflections | 71243 |
<I/σ(I)> | 58.4 |
Completeness [%] | 98.0 |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 298 | 0.2M Potassium sodium tartrate, 0.1M Na citrate, 1.6M Ammonium sulfate , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |