6VYA
Crystal structure of NotF in complex with brevianamide F and DMSPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 |
Unit cell lengths | 157.893, 163.069, 167.857 |
Unit cell angles | 78.25, 65.05, 66.40 |
Refinement procedure
Resolution | 49.130 - 3.000 |
R-factor | 0.2652 |
Rwork | 0.265 |
R-free | 0.30830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ld7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.168 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.130 | 3.100 |
High resolution limit [Å] | 2.990 | 2.990 |
Number of reflections | 274067 | 26465 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 97.5 | |
Redundancy | 3.5 | |
CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.9 | 293 | 11% w/v PEG 4000, 0.1 M MES pH 6.9, 0.2 M MgCl2, 1 mM brevianamide F, 1 mM dimethylallyl S-thiolodiphosphate |