6XOO
DCN1 bound to DI-1859
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 | 34.020, 86.865, 126.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.080 - 2.060 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v83 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.060 | 5.590 | 2.060 |
| Rmerge | 0.047 | 0.022 | 0.551 |
| Rmeas | 0.051 | 0.024 | 0.612 |
| Rpim | 0.019 | 0.009 | 0.261 |
| Total number of observations | 168136 | ||
| Number of reflections | 23926 | 1344 | 1027 |
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 99.3 | 99.7 | 86.3 |
| Redundancy | 7 | 6.4 | 5.2 |
| CC(1/2) | 0.999 | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 28-33% PEG 3350, 200 mM Ammonium formate |
