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 |