8I84
Crystal structure of Cph001-D189N in complex with CMN IIB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2022-06-24 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.755, 85.153, 86.815 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.930 - 2.200 |
R-factor | 0.21404 |
Rwork | 0.212 |
R-free | 0.26736 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.981 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.071 | 0.445 |
Number of reflections | 31648 | 2988 |
<I/σ(I)> | 25.5 | 2.9 |
Completeness [%] | 99.0 | 92.9 |
Redundancy | 7.6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | Sodium acetate trihydrate, Polyethylene glycol 4,000, Glycerol |