6N0K
The complex of CCG-257081 bound to pirin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-20 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.253, 67.101, 107.261 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.750 - 1.460 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jct |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.934 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.750 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.496 | |
| Rmeas | 0.548 | |
| Rpim | 0.229 | |
| Number of reflections | 53779 | 5202 |
| <I/σ(I)> | 22.7 | 2 |
| Completeness [%] | 99.6 | 97.87 |
| Redundancy | 6.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M Hepes pH 7.5, 8% Ethylene Glycol, 20% PEG 8000 |
