8I8H
Crystal structure of Cph001-D189N in complex with VIO and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-12-07 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.144, 87.364, 88.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.080 - 2.020 |
R-factor | 0.22013 |
Rwork | 0.218 |
R-free | 0.25197 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.422 |
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 | 2.140 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.083 | 0.584 |
Number of reflections | 40292 | 6107 |
<I/σ(I)> | 10.4 | 2.4 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | Sodium acetate trihydrate, Polyethylene glycol 4,000, Glycerol |