6XOL
DCN1 bound to DI-1548
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.910, 86.420, 126.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.780 - 2.390 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v83 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.980 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.430 |
| High resolution limit [Å] | 2.390 | 6.480 | 2.390 |
| Rmerge | 0.067 | 0.040 | 0.959 |
| Rmeas | 0.073 | 0.044 | 1.043 |
| Rpim | 0.028 | 0.018 | 0.405 |
| Total number of observations | 104928 | ||
| Number of reflections | 15414 | 878 | 762 |
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.9 | 99.3 | 99.7 |
| Redundancy | 6.8 | 6 | 6.4 |
| CC(1/2) | 0.997 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28-33 % PEG3350, 200 mM ammonium formate |
