6EOZ
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
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 | 2016-11-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.560, 120.140, 67.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.550 |
R-factor | 0.13432 |
Rwork | 0.133 |
R-free | 0.16290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dap |
RMSD bond length | 0.007 |
RMSD bond angle | 1.349 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.042 | 0.493 |
Rpim | 0.047 | 0.555 |
Number of reflections | 42404 | |
<I/σ(I)> | 15.2 | 3.4 |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 4.9 | 4.9 |
CC(1/2) | 0.999 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM TRIS/HCl, 1 M LiBr, 27% PEG 6000 |