7UF8
Structure of CtdP in complex with penicimutamide E and NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 166.759, 166.759, 195.382 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.360 - 2.500 |
R-factor | 0.2251 |
Rwork | 0.224 |
R-free | 0.25800 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.939 |
Data reduction software | XDS (20210322) |
Data scaling software | XDS |
Phasing software | PHASER (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.360 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 2.790 | |
Rmeas | 0.174 | 2.850 |
Number of reflections | 55814 | 16814 |
<I/σ(I)> | 17.8 | 1.7 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 21.13 | |
CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 0.1 M BisTris pH 6.75, 25% PEG monomethyl ether 2000, 0.1 M CaCl2 |