7OYH
Crystal structure of depupylase Dop in complex with Pup and ADP/tetrafluoromagnesate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 106.827, 106.827, 107.947 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.870 - 1.750 |
R-factor | 0.1634 |
Rwork | 0.162 |
R-free | 0.18450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lrt |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.870 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 72028 | 7143 |
<I/σ(I)> | 17.52 | |
Completeness [%] | 99.9 | |
Redundancy | 20.1 | |
CC(1/2) | 0.999 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 100 mM Tris-acetate pH 7.0-8.5, 10 mM ADP, 100 mM MgCl2, 10 mM NaF and 0.75-1.0 M KH2PO4 |