6XOM
DCN1 bound to 8
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 | 33.721, 86.698, 126.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.820 - 2.100 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v83 |
| RMSD bond length | 0.010 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.057 | 0.027 | 0.565 |
| Rmeas | 0.061 | 0.030 | 0.617 |
| Rpim | 0.023 | 0.012 | 0.245 |
| Total number of observations | 159935 | ||
| Number of reflections | 22472 | 1259 | 1084 |
| <I/σ(I)> | 11 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 7.1 | 6.3 | 6.3 |
| CC(1/2) | 0.998 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 28 - 33% PEG 3350, 200 mM ammonium formate |
