7PCI
BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins
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 | 2021-03-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 75.670, 84.470, 46.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pcc |
RMSD bond length | 0.002 |
RMSD bond angle | 1.215 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.074 | 0.569 |
Number of reflections | 23699 | 3335 |
<I/σ(I)> | 11.9 | 2.7 |
Completeness [%] | 98.4 | |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Imidazole; 20% PEG 6K, 2 mM NAD+, 5 mM MgCl2, 2 mM (8) |