8I89
Crystal structure of Cph001-D189N in complex with VIO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 07A |
Synchrotron site | NSRRC |
Beamline | TPS 07A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-10-14 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.122, 87.104, 87.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.190 - 2.000 |
R-factor | 0.20706 |
Rwork | 0.205 |
R-free | 0.25244 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.933 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.053 | 0.550 |
Number of reflections | 43019 | 4228 |
<I/σ(I)> | 36.5 | 2.8 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 7.8 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | Sodium acetate trihydrate pH 4.6, Polyethylene glycol 4,000, Glycerol |