7PCT
BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): 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 | 2021-03-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.290, 76.030, 78.230 |
Unit cell angles | 90.00, 106.14, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.350 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.17950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pcc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.437 |
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 | 1.450 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.068 | 0.536 |
Number of reflections | 139870 | 26615 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 97.3 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris; o.2 M NaAc, 16% PEG 4K, 2 mM NAD+, 5 mM MgCl2 |