8I80
Crystal structure of Cph001-D189N
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-06-02 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.299, 86.937, 87.015 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.280 - 2.300 |
R-factor | 0.19712 |
Rwork | 0.194 |
R-free | 0.24504 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.127 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (8.0.004) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.057 | 0.582 |
Number of reflections | 28419 | 2768 |
<I/σ(I)> | 28.99 | 3.429 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.6 |
CC(1/2) | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | Sodium acetate trihydrate, Polyethylene glycol 4,000, Glycerol |